benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate

C31H47N3O4 — CID 123352734

IUPACbenzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate
SMILESNC1CCCCC1CC(=O)NC1CCCCC1CC(=O)NC1CCCCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C31H47N3O4/c32-26-15-7-4-12-23(26)18-29(35)33-27-16-8-5-13-24(27)19-30(36)34-28-17-9-6-14-25(28)20-31(37)38-21-22-10-2-1-3-11-22/h1-3,10-11,23-28H,4-9,12-21,32H2,(H,33,35)(H,34,36)
InChIKeyGKOUBJLENPXNHL-UHFFFAOYSA-N
MW525.73 g/mol
LogP4.77
Rot. Bonds10

About benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate

benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate (PubChem CID 123352734) has the molecular formula C31H47N3O4 and a molecular weight of 525.73 g/mol. Its IUPAC name is benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate
PubChem CID123352734
Molecular FormulaC31H47N3O4
Molecular Weight525.73 g/mol
Exact Mass525.36
IUPAC Namebenzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate
SMILESNC1CCCCC1CC(=O)NC1CCCCC1CC(=O)NC1CCCCC1CC(=O)OCc1ccccc1
InChIInChI=1S/C31H47N3O4/c32-26-15-7-4-12-23(26)18-29(35)33-27-16-8-5-13-24(27)19-30(36)34-28-17-9-6-14-25(28)20-31(37)38-21-22-10-2-1-3-11-22/h1-3,10-11,23-28H,4-9,12-21,32H2,(H,33,35)(H,34,36)
InChIKeyGKOUBJLENPXNHL-UHFFFAOYSA-N
XLogP4.77
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.73
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[2-[2-(2-aminocyclohexyl)ethylamino]cyclohexyl]acetate
CID 123141717
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
N-[2-(aminomethyl)cyclohexyl]-3-phenylmethoxypropanamide
CID 119610062
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[2-(aminomethyl)cyclohexyl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119612068
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
CID 58062979
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate?
The IUPAC name of benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate (CID 123352734) is benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate.
What is the SMILES notation for benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate?
The canonical SMILES for benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate is NC1CCCCC1CC(=O)NC1CCCCC1CC(=O)NC1CCCCC1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate?
The InChIKey is GKOUBJLENPXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N3O4/c32-26-15-7-4-12-23(26)18-29(35)33-27-16-8-5-13-24(27)19-30(36)34-28-17-9-6-14-25(28)20-31(37)38-21-22-10-2-1-3-11-22/h1-3,10-11,23-28H,4-9,12-21,32H2,(H,33,35)(H,34,36).
What are the key properties of benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate?
benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate has a molecular weight of 525.73 g/mol, XLogP of 4.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[[2-[2-[[2-(2-aminocyclohexyl)acetyl]amino]cyclohexyl]acetyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 123352734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).