1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide

C18H33N3O2 — CID 119767222

IUPAC1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C18H33N3O2/c1-2-3-12-20-17(23)18(10-5-4-6-11-18)21-16(22)14-8-7-9-15(19)13-14/h14-15H,2-13,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyLHYKSXVYSMAJGX-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.24
Rot. Bonds6

About 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide

1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide (PubChem CID 119767222) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide
PubChem CID119767222
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C18H33N3O2/c1-2-3-12-20-17(23)18(10-5-4-6-11-18)21-16(22)14-8-7-9-15(19)13-14/h14-15H,2-13,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyLHYKSXVYSMAJGX-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide;hydrochloride
CID 119767221
1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
CID 119767184
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
1-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735680
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide (CID 119767222) is 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide is CCCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1.
What is the InChIKey of 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide?
The InChIKey is LHYKSXVYSMAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-3-12-20-17(23)18(10-5-4-6-11-18)21-16(22)14-8-7-9-15(19)13-14/h14-15H,2-13,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide?
1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 119767222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).