2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide

C14H19N3O3 — CID 60724134

IUPAC2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(NC(=O)N(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-10(18)11-5-7-12(8-6-11)15-14(20)17(4)9-13(19)16(2)3/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyZMMGILYNQBWDFB-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds4

About 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide

2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide (PubChem CID 60724134) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
PubChem CID60724134
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide
SMILESCC(=O)c1ccc(NC(=O)N(C)CC(=O)N(C)C)cc1
InChIInChI=1S/C14H19N3O3/c1-10(18)11-5-7-12(8-6-11)15-14(20)17(4)9-13(19)16(2)3/h5-8H,9H2,1-4H3,(H,15,20)
InChIKeyZMMGILYNQBWDFB-UHFFFAOYSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylphenyl)-1-(2,2-difluoroethyl)-1-methylurea
CID 115612021
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
3-(4-acetylphenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 78924912
3-(4-acetylanilino)-N,N-dimethylpropanamide
CID 114468155
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
3-(4-acetylphenyl)-1-methyl-1-pentan-2-ylurea
CID 47186238
3-(4-acetylphenyl)-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63823278
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
3-(4-acetylphenyl)-1-ethyl-1-propan-2-ylurea
CID 61346463
3-(4-acetylphenyl)-1-[(4-acetylphenyl)carbamothioylamino]-1-methylthiourea
CID 2370210
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide (CID 60724134) is 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide is CC(=O)c1ccc(NC(=O)N(C)CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is ZMMGILYNQBWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(18)11-5-7-12(8-6-11)15-14(20)17(4)9-13(19)16(2)3/h5-8H,9H2,1-4H3,(H,15,20).
What are the key properties of 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide?
2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 277.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)carbamoyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60724134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).