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

C17H31N3O2 — CID 119767184

IUPAC1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C17H31N3O2/c1-2-11-19-16(22)17(9-4-3-5-10-17)20-15(21)13-7-6-8-14(18)12-13/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyPBFXCKJOXGVKCK-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.85
Rot. Bonds5

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

1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide (PubChem CID 119767184) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
PubChem CID119767184
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1
InChIInChI=1S/C17H31N3O2/c1-2-11-19-16(22)17(9-4-3-5-10-17)20-15(21)13-7-6-8-14(18)12-13/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyPBFXCKJOXGVKCK-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide
CID 119767222
1-[(3-aminocyclohexanecarbonyl)amino]-N-butylcyclohexane-1-carboxamide;hydrochloride
CID 119767221
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
1-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735680
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propylcyclohexane-1-carboxamide
CID 119767194
(3R)-N-[1-(ethylcarbamoyl)cyclopentyl]oxane-3-carboxamide
CID 124737897
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
CID 62807267
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide (CID 119767184) is 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1(NC(=O)C2CCCC(N)C2)CCCCC1.
What is the InChIKey of 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide?
The InChIKey is PBFXCKJOXGVKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-11-19-16(22)17(9-4-3-5-10-17)20-15(21)13-7-6-8-14(18)12-13/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide?
1-[(3-aminocyclohexanecarbonyl)amino]-N-propylcyclohexane-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.85, 5 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-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 119767184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).