3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide

C35H62N8O10 — CID 155055597

IUPAC3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide
SMILESCCC(NC(=O)CC(O)CCC(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NCC(=O)NC(C)C(=O)N(C)CC=O
InChIInChI=1S/C35H62N8O10/c1-11-26(39-28(46)17-25(45)13-12-22(2)3)35(53)42(9)21-32(50)41(8)20-30(48)36-19-31(49)43(10)27(16-23(4)5)33(51)37-18-29(47)38-24(6)34(52)40(7)14-15-44/h15,22-27,45H,11-14,16-21H2,1-10H3,(H,36,48)(H,37,51)(H,38,47)(H,39,46)
InChIKeySWUNDUBUHWWYSA-UHFFFAOYSA-N
MW754.93 g/mol
LogP-1.75
Rot. Bonds24

About 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide

3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide (PubChem CID 155055597) has the molecular formula C35H62N8O10 and a molecular weight of 754.93 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide
PubChem CID155055597
Molecular FormulaC35H62N8O10
Molecular Weight754.93 g/mol
Exact Mass754.46
IUPAC Name3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide
SMILESCCC(NC(=O)CC(O)CCC(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NCC(=O)NC(C)C(=O)N(C)CC=O
InChIInChI=1S/C35H62N8O10/c1-11-26(39-28(46)17-25(45)13-12-22(2)3)35(53)42(9)21-32(50)41(8)20-30(48)36-19-31(49)43(10)27(16-23(4)5)33(51)37-18-29(47)38-24(6)34(52)40(7)14-15-44/h15,22-27,45H,11-14,16-21H2,1-10H3,(H,36,48)(H,37,51)(H,38,47)(H,39,46)
InChIKeySWUNDUBUHWWYSA-UHFFFAOYSA-N
XLogP-1.75
TPSA234.94 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500754.93
LogP ≤ 5-1.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide?
The IUPAC name of 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide (CID 155055597) is 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide.
What is the SMILES notation for 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide?
The canonical SMILES for 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide is CCC(NC(=O)CC(O)CCC(C)C)C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)N(C)C(CC(C)C)C(=O)NCC(=O)NC(C)C(=O)N(C)CC=O.
What is the InChIKey of 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide?
The InChIKey is SWUNDUBUHWWYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N8O10/c1-11-26(39-28(46)17-25(45)13-12-22(2)3)35(53)42(9)21-32(50)41(8)20-30(48)36-19-31(49)43(10)27(16-23(4)5)33(51)37-18-29(47)38-24(6)34(52)40(7)14-15-44/h15,22-27,45H,11-14,16-21H2,1-10H3,(H,36,48)(H,37,51)(H,38,47)(H,39,46).
What are the key properties of 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide?
3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide has a molecular weight of 754.93 g/mol, XLogP of -1.75, 24 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-N-[1-[methyl-[2-[methyl-[2-[[2-[methyl-[4-methyl-1-[[2-[[1-[methyl(2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]heptanamide is sourced from PubChem (CID 155055597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).