2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide

C17H24N2O2 — CID 48735757

IUPAC2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CC1CCCCC1
InChIInChI=1S/C17H24N2O2/c18-17(21)15(11-13-7-3-1-4-8-13)19-16(20)12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H2,18,21)(H,19,20)
InChIKeyPIOIABPYOFXEET-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.17
Rot. Bonds6

About 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide

2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide (PubChem CID 48735757) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
PubChem CID48735757
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)CC1CCCCC1
InChIInChI=1S/C17H24N2O2/c18-17(21)15(11-13-7-3-1-4-8-13)19-16(20)12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H2,18,21)(H,19,20)
InChIKeyPIOIABPYOFXEET-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
(2S)-3-phenyl-2-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetyl]amino]propanamide
CID 11531121
(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3-phenylpropanamide
CID 11067759
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
(2S)-2-(3-cyclohexylpropanoylamino)-3-(3-fluorophenyl)propanamide
CID 173142825
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-cyclohexylpiperidine-4-carboxamide
CID 156607431
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide (CID 48735757) is 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NC(=O)CC1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide?
The InChIKey is PIOIABPYOFXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-17(21)15(11-13-7-3-1-4-8-13)19-16(20)12-14-9-5-2-6-10-14/h1,3-4,7-8,14-15H,2,5-6,9-12H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide?
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide is sourced from PubChem (CID 48735757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).