N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide

C19H23N3O2 — CID 32537851

IUPACN-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeySKUKZDCOTOGCFR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.99
Rot. Bonds6

About N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide

N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide (PubChem CID 32537851) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
PubChem CID32537851
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeySKUKZDCOTOGCFR-UHFFFAOYSA-N
XLogP3.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide;hydrochloride
CID 119278732
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-benzyl-3-[4-[(E)-3-methyl-1-(methylamino)but-1-en-2-yl]phenyl]urea
CID 175620808
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
1-benzyl-3-(4-methylidenearsanylphenyl)urea
CID 158613945
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
3-methyl-N-[4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]butanamide
CID 54839278

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide (CID 32537851) is N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide?
The InChIKey is SKUKZDCOTOGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)12-18(23)21-16-8-10-17(11-9-16)22-19(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide?
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide is sourced from PubChem (CID 32537851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).