2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide

C17H26N2O — CID 79870022

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
SMILESCC(NC1CCCCC1(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(16(20)19-14-9-5-4-6-10-14)18-15-11-7-8-12-17(15,2)3/h4-6,9-10,13,15,18H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyBVHLSROYAGRXDO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide

2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide (PubChem CID 79870022) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
PubChem CID79870022
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
SMILESCC(NC1CCCCC1(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(16(20)19-14-9-5-4-6-10-14)18-15-11-7-8-12-17(15,2)3/h4-6,9-10,13,15,18H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyBVHLSROYAGRXDO-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
CID 79870047
2-[(2-methylsulfanylcyclohexyl)amino]-N-phenylpropanamide
CID 103902064
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
CID 63924534
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
2-(2,3-dihydro-1H-inden-2-ylamino)-N-phenylpropanamide
CID 103830707
2-[(3-methylcyclopentyl)amino]-N-phenylpropanamide
CID 115889728
(2S)-2-[(2,2-dimethylcyclohexyl)amino]-2-phenylethanol
CID 107862211

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide (CID 79870022) is 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide is CC(NC1CCCCC1(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide?
The InChIKey is BVHLSROYAGRXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(16(20)19-14-9-5-4-6-10-14)18-15-11-7-8-12-17(15,2)3/h4-6,9-10,13,15,18H,7-8,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide?
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 79870022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).