2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide

C31H42N2O3 — CID 57320536

IUPAC2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide
SMILESNC(=O)C(Cc1ccccc1)CC(O)CC(Cc1ccccc1)C(=O)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C31H42N2O3/c32-30(35)25(19-23-11-3-1-4-12-23)21-29(34)22-26(20-24-13-5-2-6-14-24)31(36)33(27-15-7-8-16-27)28-17-9-10-18-28/h1-6,11-14,25-29,34H,7-10,15-22H2,(H2,32,35)
InChIKeyYQDDQPCQCZZNSA-UHFFFAOYSA-N
MW490.69 g/mol
LogP5.04
Rot. Bonds12

About 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide

2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide (PubChem CID 57320536) has the molecular formula C31H42N2O3 and a molecular weight of 490.69 g/mol. Its IUPAC name is 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide.

Molecular Properties

Compound Name2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide
PubChem CID57320536
Molecular FormulaC31H42N2O3
Molecular Weight490.69 g/mol
Exact Mass490.32
IUPAC Name2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide
SMILESNC(=O)C(Cc1ccccc1)CC(O)CC(Cc1ccccc1)C(=O)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C31H42N2O3/c32-30(35)25(19-23-11-3-1-4-12-23)21-29(34)22-26(20-24-13-5-2-6-14-24)31(36)33(27-15-7-8-16-27)28-17-9-10-18-28/h1-6,11-14,25-29,34H,7-10,15-22H2,(H2,32,35)
InChIKeyYQDDQPCQCZZNSA-UHFFFAOYSA-N
XLogP5.04
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-cyclopentyl-4-methyl-N-phenylpentanamide
CID 167887997
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881
2,6-dibenzyl-N',N'-bis(cyclohexylmethyl)-4-methylideneheptanediamide
CID 57158155
2-benzyl-3-[formyl(hydroxy)amino]propanamide
CID 87592529
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(1S,2S)-2-(pyridine-4-carbonylamino)cyclohexyl]heptanediamide
CID 5479481
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 102861710
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398

Frequently Asked Questions

What is the IUPAC name of 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide?
The IUPAC name of 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide (CID 57320536) is 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide.
What is the SMILES notation for 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide?
The canonical SMILES for 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide is NC(=O)C(Cc1ccccc1)CC(O)CC(Cc1ccccc1)C(=O)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide?
The InChIKey is YQDDQPCQCZZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O3/c32-30(35)25(19-23-11-3-1-4-12-23)21-29(34)22-26(20-24-13-5-2-6-14-24)31(36)33(27-15-7-8-16-27)28-17-9-10-18-28/h1-6,11-14,25-29,34H,7-10,15-22H2,(H2,32,35).
What are the key properties of 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide?
2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide has a molecular weight of 490.69 g/mol, XLogP of 5.04, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibenzyl-N',N'-dicyclopentyl-4-hydroxyheptanediamide is sourced from PubChem (CID 57320536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).