2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide

C17H26N2O — CID 81385584

IUPAC2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](C)C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(15-9-5-3-6-10-15)18-14(2)17(20)19-16-11-7-4-8-12-16/h4,7-8,11-15,18H,3,5-6,9-10H2,1-2H3,(H,19,20)/t13-,14?/m1/s1
InChIKeySBKGQQYSZSYZKT-KWCCSABGSA-N
MW274.41 g/mol
LogP3.57
Rot. Bonds5

About 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide

2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide (PubChem CID 81385584) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
PubChem CID81385584
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](C)C1CCCCC1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(15-9-5-3-6-10-15)18-14(2)17(20)19-16-11-7-4-8-12-16/h4,7-8,11-15,18H,3,5-6,9-10H2,1-2H3,(H,19,20)/t13-,14?/m1/s1
InChIKeySBKGQQYSZSYZKT-KWCCSABGSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
2-[1-(oxolan-3-yl)ethylamino]-N-phenylpropanamide
CID 115660016
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
CID 166439076
N-carbamoyl-2-(1-cyclohexylethylamino)propanamide
CID 62405397
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]propanamide
CID 81391633
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
CID 63924534

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide?
The IUPAC name of 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide (CID 81385584) is 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide is CC(N[C@H](C)C1CCCCC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide?
The InChIKey is SBKGQQYSZSYZKT-KWCCSABGSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(15-9-5-3-6-10-15)18-14(2)17(20)19-16-11-7-4-8-12-16/h4,7-8,11-15,18H,3,5-6,9-10H2,1-2H3,(H,19,20)/t13-,14?/m1/s1.
What are the key properties of 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide?
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 81385584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).