N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide

C18H21N3O2 — CID 38884339

IUPACN-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(2)17(22)20-15-9-6-10-16(11-15)21-18(23)19-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyKRMBASNPCZZFSI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.60
Rot. Bonds5

About N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide

N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide (PubChem CID 38884339) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
PubChem CID38884339
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H21N3O2/c1-13(2)17(22)20-15-9-6-10-16(11-15)21-18(23)19-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyKRMBASNPCZZFSI-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
2-methyl-3-[3-[(2-methylpropanoylamino)methyl]phenyl]-N-phenylpropanamide
CID 154984717
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249
3-amino-2-methyl-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]butanamide;dihydrochloride
CID 120503652
1-benzyl-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825541
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-methyl-N-[4-[[[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]carbamoylamino]methyl]phenyl]propanamide
CID 112829780
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-[3-(2-methylpropanoylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 55609495

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide (CID 38884339) is N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide?
The InChIKey is KRMBASNPCZZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)17(22)20-15-9-6-10-16(11-15)21-18(23)19-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide?
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 38884339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).