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

C17H26N2O — CID 81386066

IUPAC(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
InChIKeyVAEXSKOQPFSDKP-XJKSGUPXSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

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

(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide (PubChem CID 81386066) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
PubChem CID81386066
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1
InChIKeyVAEXSKOQPFSDKP-XJKSGUPXSA-N
XLogP2.64
TPSA55.12 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
(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
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide (CID 81386066) is (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide is C[C@H](NC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide?
The InChIKey is VAEXSKOQPFSDKP-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(15-10-6-3-7-11-15)19-17(20)16(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,13,15-16H,3,6-7,10-12,18H2,1H3,(H,19,20)/t13-,16+/m0/s1.
What are the key properties of (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide?
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide is sourced from PubChem (CID 81386066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).