(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide

C17H26N2O — CID 104984034

IUPAC(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CN(C(=O)[C@@H](N)CCc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O/c1-13(2)12-19(15-9-10-15)17(20)16(18)11-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t16-/m0/s1
InChIKeyKCRAGVLNGODSIY-INIZCTEOSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide

(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide (PubChem CID 104984034) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
PubChem CID104984034
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
SMILESCC(C)CN(C(=O)[C@@H](N)CCc1ccccc1)C1CC1
InChIInChI=1S/C17H26N2O/c1-13(2)12-19(15-9-10-15)17(20)16(18)11-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t16-/m0/s1
InChIKeyKCRAGVLNGODSIY-INIZCTEOSA-N
XLogP2.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114927967
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 114926898
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)propanamide
CID 61146341
N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
(2S)-2-amino-N-(2,2-diethoxyethyl)-N-(3-methylbutyl)-4-phenylbutanamide
CID 118589325

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide (CID 104984034) is (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide is CC(C)CN(C(=O)[C@@H](N)CCc1ccccc1)C1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide?
The InChIKey is KCRAGVLNGODSIY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)12-19(15-9-10-15)17(20)16(18)11-8-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,18H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide?
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide is sourced from PubChem (CID 104984034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).