(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide

C16H24N4O3 — CID 8912953

IUPAC(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)C
InChIInChI=1S/C16H24N4O3/c1-11(2)18-13(21)10-20(4)14(12-8-6-5-7-9-12)15(22)19-16(23)17-3/h5-9,11,14H,10H2,1-4H3,(H,18,21)(H2,17,19,22,23)/t14-/m0/s1
InChIKeySHIQZMIPRZKUKI-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.64
Rot. Bonds6

About (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide

(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide (PubChem CID 8912953) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
PubChem CID8912953
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)C
InChIInChI=1S/C16H24N4O3/c1-11(2)18-13(21)10-20(4)14(12-8-6-5-7-9-12)15(22)19-16(23)17-3/h5-9,11,14H,10H2,1-4H3,(H,18,21)(H2,17,19,22,23)/t14-/m0/s1
InChIKeySHIQZMIPRZKUKI-AWEZNQCLSA-N
XLogP0.64
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 55351737
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 9049752
2-[methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]-N-propan-2-ylacetamide
CID 8913700
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51167401
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8694894
(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8789263
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide (CID 8912953) is (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide is CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)NC(C)C.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
The InChIKey is SHIQZMIPRZKUKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)18-13(21)10-20(4)14(12-8-6-5-7-9-12)15(22)19-16(23)17-3/h5-9,11,14H,10H2,1-4H3,(H,18,21)(H2,17,19,22,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide?
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8912953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).