(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide

C17H26N2O — CID 104898224

IUPAC(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)[C@@H](N)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)16(18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10,18H2,1H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyNGIQRIBOJIHQRJ-CJNGLKHVSA-N
MW274.41 g/mol
LogP3.16
Rot. Bonds4

About (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide (PubChem CID 104898224) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
PubChem CID104898224
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
SMILESC[C@@H](NC(=O)[C@@H](N)c1ccccc1)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)16(18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10,18H2,1H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyNGIQRIBOJIHQRJ-CJNGLKHVSA-N
XLogP3.16
TPSA55.12 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
2-amino-N-(1-cyclohexylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667022
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-[(1R)-1-cycloheptylethyl]-2-thiophen-2-ylacetamide
CID 115287598
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide (CID 104898224) is (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide is C[C@@H](NC(=O)[C@@H](N)c1ccccc1)C1CCCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide?
The InChIKey is NGIQRIBOJIHQRJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(14-9-5-2-3-6-10-14)19-17(20)16(18)15-11-7-4-8-12-15/h4,7-8,11-14,16H,2-3,5-6,9-10,18H2,1H3,(H,19,20)/t13-,16+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide?
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide has a molecular weight of 274.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide is sourced from PubChem (CID 104898224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).