2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide

C17H19N3O2 — CID 71880205

IUPAC2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide
SMILESCc1cccc(-c2cccc(CNC(=O)CNC(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-6-14(8-12)15-7-3-5-13(9-15)10-19-16(21)11-20-17(18)22/h2-9H,10-11H2,1H3,(H,19,21)(H3,18,20,22)
InChIKeyIWBGGINLNMCQDK-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.95
Rot. Bonds5

About 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide

2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide (PubChem CID 71880205) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide
PubChem CID71880205
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide
SMILESCc1cccc(-c2cccc(CNC(=O)CNC(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-6-14(8-12)15-7-3-5-13(9-15)10-19-16(21)11-20-17(18)22/h2-9H,10-11H2,1H3,(H,19,21)(H3,18,20,22)
InChIKeyIWBGGINLNMCQDK-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)methylurea
CID 60776531
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992182
3-[methyl-[[3-(3-methylphenyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122000215
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide (CID 71880205) is 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide is Cc1cccc(-c2cccc(CNC(=O)CNC(N)=O)c2)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide?
The InChIKey is IWBGGINLNMCQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-2-6-14(8-12)15-7-3-5-13(9-15)10-19-16(21)11-20-17(18)22/h2-9H,10-11H2,1H3,(H,19,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide?
2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide is sourced from PubChem (CID 71880205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).