(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide

C22H21N3O2 — CID 7509578

IUPAC(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
SMILESCNC(=O)NC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-23-22(27)25-21(26)20(18-10-6-3-7-11-18)24-19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20,24H,1H3,(H2,23,25,26,27)/t20-/m0/s1
InChIKeyBCCZQODOQVAIBM-FQEVSTJZSA-N
MW359.43 g/mol
LogP3.96
Rot. Bonds5

About (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide

(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide (PubChem CID 7509578) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
PubChem CID7509578
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
SMILESCNC(=O)NC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-23-22(27)25-21(26)20(18-10-6-3-7-11-18)24-19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20,24H,1H3,(H2,23,25,26,27)/t20-/m0/s1
InChIKeyBCCZQODOQVAIBM-FQEVSTJZSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504
(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7928876
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509426
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 40690071
N-(4-methoxyphenyl)-4-[[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]benzamide
CID 17495973
(2S)-2-(4-methylanilino)-1,2-diphenylethanone
CID 36689295
(2S)-N-(methylcarbamoyl)-2-[(2-methylphenyl)methylamino]-2-phenylacetamide
CID 9357523
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382
(E)-amino-[amino-[(2-anilino-2-phenylacetyl)amino]methylidene]azanium
CID 145363334
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide (CID 7509578) is (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide is CNC(=O)NC(=O)[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide?
The InChIKey is BCCZQODOQVAIBM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-23-22(27)25-21(26)20(18-10-6-3-7-11-18)24-19-14-12-17(13-15-19)16-8-4-2-5-9-16/h2-15,20,24H,1H3,(H2,23,25,26,27)/t20-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide?
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide is sourced from PubChem (CID 7509578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).