3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide

C17H25N3O2 — CID 119696818

IUPAC3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H25N3O2/c18-15-8-4-7-14(11-15)17(22)20(10-9-16(19)21)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2,(H2,19,21)
InChIKeySFBOTDAHVXJUPR-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.41
Rot. Bonds6

About 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide

3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide (PubChem CID 119696818) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
PubChem CID119696818
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H25N3O2/c18-15-8-4-7-14(11-15)17(22)20(10-9-16(19)21)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2,(H2,19,21)
InChIKeySFBOTDAHVXJUPR-UHFFFAOYSA-N
XLogP1.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-oxopropyl)-benzylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672388
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
(3S)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-3-carboxamide
CID 81125382
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide (CID 119696818) is 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide?
The InChIKey is SFBOTDAHVXJUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-15-8-4-7-14(11-15)17(22)20(10-9-16(19)21)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,18H2,(H2,19,21).
What are the key properties of 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide?
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide is sourced from PubChem (CID 119696818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).