(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide

C15H22N2O — CID 93193539

IUPAC(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-10-17(11-12-8-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11,16H2,1H3/t14-/m0/s1
InChIKeyVKPWGBFREZNGIZ-AWEZNQCLSA-N
MW246.35 g/mol
LogP2.34
Rot. Bonds6

About (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide

(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide (PubChem CID 93193539) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
PubChem CID93193539
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
SMILESCCCN(CC1CC1)C(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-10-17(11-12-8-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11,16H2,1H3/t14-/m0/s1
InChIKeyVKPWGBFREZNGIZ-AWEZNQCLSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-amino-N-(cyclopropylmethyl)-N-propyl-2-thiophen-2-ylacetamide
CID 115286111
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide?
The IUPAC name of (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide (CID 93193539) is (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide?
The canonical SMILES for (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide is CCCN(CC1CC1)C(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide?
The InChIKey is VKPWGBFREZNGIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-10-17(11-12-8-9-12)15(18)14(16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11,16H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide?
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide is sourced from PubChem (CID 93193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).