N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide

C17H19N3O2 — CID 38294266

IUPACN-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
SMILESCc1cccc(CNC(=O)CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-7-14(10-13)11-18-16(21)12-19-17(22)20-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyQROIFKFQMXKBEN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.43
Rot. Bonds5

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

N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide (PubChem CID 38294266) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
PubChem CID38294266
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
SMILESCc1cccc(CNC(=O)CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-7-14(10-13)11-18-16(21)12-19-17(22)20-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyQROIFKFQMXKBEN-UHFFFAOYSA-N
XLogP2.43
TPSA70.23 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 ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55958052

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide (CID 38294266) is N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide is Cc1cccc(CNC(=O)CNC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide?
The InChIKey is QROIFKFQMXKBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-5-7-14(10-13)11-18-16(21)12-19-17(22)20-15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide?
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 38294266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).