1-(ethylcarbamoyl)-1-methyl-3-phenylurea

C11H15N3O2 — CID 12876426

IUPAC1-(ethylcarbamoyl)-1-methyl-3-phenylurea
SMILESCCNC(=O)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-3-12-10(15)14(2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyWCHYMLSFNFWILD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.88
Rot. Bonds2

About 1-(ethylcarbamoyl)-1-methyl-3-phenylurea

1-(ethylcarbamoyl)-1-methyl-3-phenylurea (PubChem CID 12876426) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(ethylcarbamoyl)-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-(ethylcarbamoyl)-1-methyl-3-phenylurea
PubChem CID12876426
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(ethylcarbamoyl)-1-methyl-3-phenylurea
SMILESCCNC(=O)N(C)C(=O)Nc1ccccc1
InChIInChI=1S/C11H15N3O2/c1-3-12-10(15)14(2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyWCHYMLSFNFWILD-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
N'-methyl-N-phenyl-N'-(phenylcarbamoyl)propanediamide
CID 12864691
1-chloro-1-methyl-3-phenylurea
CID 173170547
1,1-dimethyl-3-(phenylcarbamoyl)-3-propylurea
CID 12876113
4-benzamido-N-ethylbenzamide
CID 17153265
1,1-bis(methylamino)-3-phenylurea
CID 54267679
N-methylethanamine;N-phenylacetamide
CID 156841550
ethyl (2R)-2-[methyl(phenylcarbamoyl)amino]propanoate
CID 102002334
1-ethyl-1-methyl-3-(4-phenylphenyl)urea
CID 115603727
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamoyl)-1-methyl-3-phenylurea?
The IUPAC name of 1-(ethylcarbamoyl)-1-methyl-3-phenylurea (CID 12876426) is 1-(ethylcarbamoyl)-1-methyl-3-phenylurea.
What is the SMILES notation for 1-(ethylcarbamoyl)-1-methyl-3-phenylurea?
The canonical SMILES for 1-(ethylcarbamoyl)-1-methyl-3-phenylurea is CCNC(=O)N(C)C(=O)Nc1ccccc1.
What is the InChIKey of 1-(ethylcarbamoyl)-1-methyl-3-phenylurea?
The InChIKey is WCHYMLSFNFWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-12-10(15)14(2)11(16)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of 1-(ethylcarbamoyl)-1-methyl-3-phenylurea?
1-(ethylcarbamoyl)-1-methyl-3-phenylurea has a molecular weight of 221.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamoyl)-1-methyl-3-phenylurea is sourced from PubChem (CID 12876426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).