2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide

C18H28N2O — CID 81389396

IUPAC2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C(N)Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-11-7-2-3-8-12-16)20-18(21)17(19)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,2-3,7-8,11-13,19H2,1H3,(H,20,21)/t14-,17?/m1/s1
InChIKeyXXVJRRCFRFVOPP-XPCCGILXSA-N
MW288.43 g/mol
LogP3.03
Rot. Bonds5

About 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide

2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide (PubChem CID 81389396) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
PubChem CID81389396
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)C(N)Cc1ccccc1)C1CCCCCC1
InChIInChI=1S/C18H28N2O/c1-14(16-11-7-2-3-8-12-16)20-18(21)17(19)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,2-3,7-8,11-13,19H2,1H3,(H,20,21)/t14-,17?/m1/s1
InChIKeyXXVJRRCFRFVOPP-XPCCGILXSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide
CID 61248190
(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide (CID 81389396) is 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide is C[C@@H](NC(=O)C(N)Cc1ccccc1)C1CCCCCC1.
What is the InChIKey of 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide?
The InChIKey is XXVJRRCFRFVOPP-XPCCGILXSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(16-11-7-2-3-8-12-16)20-18(21)17(19)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,2-3,7-8,11-13,19H2,1H3,(H,20,21)/t14-,17?/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide?
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide has a molecular weight of 288.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide is sourced from PubChem (CID 81389396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).