(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide

C27H52N4O4 — CID 102254878

IUPAC(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
SMILESCC(C)CNC(=O)CC[C@H](C[C@H](CCC(=O)NCC(C)C)C(=O)NCC(C)C)C(=O)NCC(C)C
InChIInChI=1S/C27H52N4O4/c1-18(2)14-28-24(32)11-9-22(26(34)30-16-20(5)6)13-23(27(35)31-17-21(7)8)10-12-25(33)29-15-19(3)4/h18-23H,9-17H2,1-8H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t22-,23+
InChIKeyYBXWLZHSYUCPHY-ZRZAMGCNSA-N
MW496.74 g/mol
LogP3.26
Rot. Bonds18

About (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide

(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide (PubChem CID 102254878) has the molecular formula C27H52N4O4 and a molecular weight of 496.74 g/mol. Its IUPAC name is (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide.

Molecular Properties

Compound Name(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
PubChem CID102254878
Molecular FormulaC27H52N4O4
Molecular Weight496.74 g/mol
Exact Mass496.40
IUPAC Name(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
SMILESCC(C)CNC(=O)CC[C@H](C[C@H](CCC(=O)NCC(C)C)C(=O)NCC(C)C)C(=O)NCC(C)C
InChIInChI=1S/C27H52N4O4/c1-18(2)14-28-24(32)11-9-22(26(34)30-16-20(5)6)13-23(27(35)31-17-21(7)8)10-12-25(33)29-15-19(3)4/h18-23H,9-17H2,1-8H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t22-,23+
InChIKeyYBXWLZHSYUCPHY-ZRZAMGCNSA-N
XLogP3.26
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.74
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide with MolForge

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Related Compounds

2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-cyano-N-(2-methylpropyl)propanamide
CID 82111206
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
N-[2-[3-[2-[3-[[2-[[3-[2-[3-[2-(hexadecanoylamino)ethoxy]propanoylamino]ethoxy]propanoylamino]methyl]-3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropoxy]ethylamino]-3-oxopropoxy]ethyl]hexadecanamide
CID 170122633

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide?
The IUPAC name of (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide (CID 102254878) is (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide.
What is the SMILES notation for (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide?
The canonical SMILES for (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide is CC(C)CNC(=O)CC[C@H](C[C@H](CCC(=O)NCC(C)C)C(=O)NCC(C)C)C(=O)NCC(C)C.
What is the InChIKey of (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide?
The InChIKey is YBXWLZHSYUCPHY-ZRZAMGCNSA-N. The full InChI is InChI=1S/C27H52N4O4/c1-18(2)14-28-24(32)11-9-22(26(34)30-16-20(5)6)13-23(27(35)31-17-21(7)8)10-12-25(33)29-15-19(3)4/h18-23H,9-17H2,1-8H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)/t22-,23+.
What are the key properties of (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide?
(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide has a molecular weight of 496.74 g/mol, XLogP of 3.26, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide is sourced from PubChem (CID 102254878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).