(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide

C53H102N4O6 — CID 164979150

IUPAC(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide
SMILESCC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](CC(C)C)N(C)C(C)C)C(C)C.CC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]([C@@H](C)C(C)C)N(C)C(C)C)C(C)C
InChIInChI=1S/C27H52N2O3.C26H50N2O3/c1-16(2)14-23(26(31)19(7)8)29(13)27(32)22(18(5)6)15-24(30)25(21(11)17(3)4)28(12)20(9)10;1-16(2)13-22(27(11)20(9)10)24(29)15-21(18(5)6)26(31)28(12)23(14-17(3)4)25(30)19(7)8/h16-23,25H,14-15H2,1-13H3;16-23H,13-15H2,1-12H3/t21-,22-,23-,25-;21-,22-,23-/m00/s1
InChIKeyFFKVUSWDCQXKGU-VXRGNPFZSA-N
MW891.42 g/mol
LogP10.39
Rot. Bonds28

About (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide

(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide (PubChem CID 164979150) has the molecular formula C53H102N4O6 and a molecular weight of 891.42 g/mol. Its IUPAC name is (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide.

Molecular Properties

Compound Name(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide
PubChem CID164979150
Molecular FormulaC53H102N4O6
Molecular Weight891.42 g/mol
Exact Mass890.78
IUPAC Name(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide
SMILESCC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](CC(C)C)N(C)C(C)C)C(C)C.CC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]([C@@H](C)C(C)C)N(C)C(C)C)C(C)C
InChIInChI=1S/C27H52N2O3.C26H50N2O3/c1-16(2)14-23(26(31)19(7)8)29(13)27(32)22(18(5)6)15-24(30)25(21(11)17(3)4)28(12)20(9)10;1-16(2)13-22(27(11)20(9)10)24(29)15-21(18(5)6)26(31)28(12)23(14-17(3)4)25(30)19(7)8/h16-23,25H,14-15H2,1-13H3;16-23H,13-15H2,1-12H3/t21-,22-,23-,25-;21-,22-,23-/m00/s1
InChIKeyFFKVUSWDCQXKGU-VXRGNPFZSA-N
XLogP10.39
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.42
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-N-[(2S)-1-[[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-[methyl(methylsulfanyl)amino]pentanamide
CID 154954338
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
ethane;5-methyl-3-[methyl(propan-2-yl)amino]hexan-2-one
CID 142312134
(4R)-2,5-dimethyl-4-[methyl(propan-2-yl)amino]heptan-3-one
CID 153494768
(2S)-2-hydroxy-N-methyl-N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]propanamide
CID 58901328
2,7-dimethyl-5-propan-2-yloctan-4-one
CID 140579631
4-methyl-3-[methyl(propan-2-yl)amino]pentan-2-one
CID 144581032
tert-butyl N-methyl-N-[(2S)-4-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-4-phenylbutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 131714439
(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
CID 58901335
(2S)-2-[[(2S)-2-[[2-(fluoroamino)-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoic acid
CID 90193895
(2S)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 58901304
bis(2,5-dimethylhexan-3-one);2,4-dimethylpentane;2,4-dimethylpentan-3-one
CID 167659138

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide?
The IUPAC name of (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide (CID 164979150) is (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide.
What is the SMILES notation for (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide?
The canonical SMILES for (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide is CC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H](CC(C)C)N(C)C(C)C)C(C)C.CC(C)C[C@@H](C(=O)C(C)C)N(C)C(=O)[C@@H](CC(=O)[C@H]([C@@H](C)C(C)C)N(C)C(C)C)C(C)C.
What is the InChIKey of (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide?
The InChIKey is FFKVUSWDCQXKGU-VXRGNPFZSA-N. The full InChI is InChI=1S/C27H52N2O3.C26H50N2O3/c1-16(2)14-23(26(31)19(7)8)29(13)27(32)22(18(5)6)15-24(30)25(21(11)17(3)4)28(12)20(9)10;1-16(2)13-22(27(11)20(9)10)24(29)15-21(18(5)6)26(31)28(12)23(14-17(3)4)25(30)19(7)8/h16-23,25H,14-15H2,1-13H3;16-23H,13-15H2,1-12H3/t21-,22-,23-,25-;21-,22-,23-/m00/s1.
What are the key properties of (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide?
(2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide has a molecular weight of 891.42 g/mol, XLogP of 10.39, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,7-dimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide;(2S,5S,6S)-N-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-N,6,7-trimethyl-5-[methyl(propan-2-yl)amino]-4-oxo-2-propan-2-yloctanamide is sourced from PubChem (CID 164979150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).