(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide

C16H24N4O3 — CID 8694894

IUPAC(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)N(C)C
InChIInChI=1S/C16H24N4O3/c1-5-17-16(23)18-15(22)14(12-9-7-6-8-10-12)20(4)11-13(21)19(2)3/h6-10,14H,5,11H2,1-4H3,(H2,17,18,22,23)/t14-/m0/s1
InChIKeyFPEISTYJENYDKF-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.59
Rot. Bonds6

About (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide

(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide (PubChem CID 8694894) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
PubChem CID8694894
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)N(C)C
InChIInChI=1S/C16H24N4O3/c1-5-17-16(23)18-15(22)14(12-9-7-6-8-10-12)20(4)11-13(21)19(2)3/h6-10,14H,5,11H2,1-4H3,(H2,17,18,22,23)/t14-/m0/s1
InChIKeyFPEISTYJENYDKF-AWEZNQCLSA-N
XLogP0.59
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 8789263
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 8595597
(2R)-N-(ethylcarbamoyl)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-phenylacetamide
CID 8805645
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
2-[acetyl(benzhydryl)amino]-N,N-dimethylacetamide
CID 122392355
N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 55351737
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 26582952
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 26551632
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide (CID 8694894) is (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@H](c1ccccc1)N(C)CC(=O)N(C)C.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
The InChIKey is FPEISTYJENYDKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-17-16(23)18-15(22)14(12-9-7-6-8-10-12)20(4)11-13(21)19(2)3/h6-10,14H,5,11H2,1-4H3,(H2,17,18,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(ethylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 8694894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).