3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide

C14H25N3O2 — CID 63043224

IUPAC3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C14H25N3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18/h9-12H,1-8,15H2,(H2,16,18)(H,17,19)
InChIKeyOFKPPKRHTDOQFR-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide

3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 63043224) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID63043224
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C14H25N3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18/h9-12H,1-8,15H2,(H2,16,18)(H,17,19)
InChIKeyOFKPPKRHTDOQFR-UHFFFAOYSA-N
XLogP0.66
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxamide
CID 66032881
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 103812491
3-amino-N-(4-phenylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119716211
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 79401214
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
3-amino-N-(thian-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119765678
N-(4-carbamoylcyclohexyl)-2-methylpiperidine-4-carboxamide
CID 106738893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide (CID 63043224) is 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide is NC(=O)C1CCC(NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is OFKPPKRHTDOQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-11-3-1-2-10(8-11)14(19)17-12-6-4-9(5-7-12)13(16)18/h9-12H,1-8,15H2,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide?
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63043224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).