4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide

C16H26N2O — CID 70974460

IUPAC4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)C1=CCC(NC(=O)C2CCC(N)CC2)C=C1
InChIInChI=1S/C16H26N2O/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h5-6,9,11,13-15H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyDRQLJYQCRLLBHR-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide

4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide (PubChem CID 70974460) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
PubChem CID70974460
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)C1=CCC(NC(=O)C2CCC(N)CC2)C=C1
InChIInChI=1S/C16H26N2O/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h5-6,9,11,13-15H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyDRQLJYQCRLLBHR-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
CID 162644302
(Z)-N-(4-methylcyclohexyl)octadec-9-enamide
CID 168296804
N-(6-chloro-4-methylcyclohexa-2,4-dien-1-yl)cyclohexanecarboxamide
CID 163645799
4-amino-N-(3,5-difluoro-4-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974405
4-(tert-butylsulfanylamino)-N-[(3R,4E)-5-fluoro-6-methylhepta-4,6-dien-3-yl]cyclohex-2-ene-1-carboxamide
CID 89073811
tert-butyl N-[4-[1-(4-fluorocyclohexa-2,4-dien-1-yl)ethylcarbamoyl]cyclohexyl]carbamate
CID 123432515
6-cyclohexa-1,5-dien-1-yl-N-(4-fluoro-4-methylcyclohexyl)hexanamide
CID 154665755
2-(4-methylcyclohex-3-en-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 178633616
N,N-methylcyclohexyl linoleamide
CID 129716698
(4-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489852
N-(4-methylcyclohexyl)cyclohex-3-ene-1-carboxamide
CID 45858610
N-[2-(1-but-3-en-1-yl-1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexanecarboxamide
CID 50963980

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide (CID 70974460) is 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide is CC(C)C1=CCC(NC(=O)C2CCC(N)CC2)C=C1.
What is the InChIKey of 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
The InChIKey is DRQLJYQCRLLBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h5-6,9,11,13-15H,3-4,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide?
4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 70974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).