(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide

C18H21N3O3 — CID 131937070

IUPAC(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1C
InChIInChI=1S/C18H21N3O3/c1-12-10-14(8-9-15(12)21-16(22)11-24-2)20-18(23)17(19)13-6-4-3-5-7-13/h3-10,17H,11,19H2,1-2H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyGYZSRJOOYQJAQN-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.22
Rot. Bonds6

About (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide

(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide (PubChem CID 131937070) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
PubChem CID131937070
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1C
InChIInChI=1S/C18H21N3O3/c1-12-10-14(8-9-15(12)21-16(22)11-24-2)20-18(23)17(19)13-6-4-3-5-7-13/h3-10,17H,11,19H2,1-2H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyGYZSRJOOYQJAQN-KRWDZBQOSA-N
XLogP2.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbenzoic acid
CID 103869544
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
2-(dimethylamino)-2-(2-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131905281
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 131943576
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
(2R)-2-amino-N-[3-ethyl-4-(propylamino)phenyl]-2-phenylacetamide
CID 142270743
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide (CID 131937070) is (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide is COCC(=O)Nc1ccc(NC(=O)[C@@H](N)c2ccccc2)cc1C.
What is the InChIKey of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide?
The InChIKey is GYZSRJOOYQJAQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-14(8-9-15(12)21-16(22)11-24-2)20-18(23)17(19)13-6-4-3-5-7-13/h3-10,17H,11,19H2,1-2H3,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide?
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide has a molecular weight of 327.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 131937070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).