N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide

C13H19N3O2 — CID 47075853

IUPACN-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCNC(=O)C(NC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)15-13(18)16-11(12(17)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeySZIMDPKEYGFTNM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide

N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 47075853) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID47075853
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCNC(=O)C(NC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C13H19N3O2/c1-9(2)15-13(18)16-11(12(17)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeySZIMDPKEYGFTNM-UHFFFAOYSA-N
XLogP1.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
3,5-dimethyl-N-[2-(methylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 75461414
N,N'-dimethyl-2,3-diphenylbutanediamide
CID 15634660
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
CID 62109514
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026
(2R,3R)-N,N',2-trimethyl-3-phenylbutanediamide
CID 15177727
(2R)-2-[[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]acetyl]amino]-N-methyl-2-phenylacetamide
CID 94413285
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide (CID 47075853) is N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide is CNC(=O)C(NC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is SZIMDPKEYGFTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)15-13(18)16-11(12(17)14-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide?
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 47075853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).