N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide

C23H24N4O2 — CID 55726221

IUPACN-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C23H24N4O2/c1-27(19-12-6-3-7-13-19)21-15-9-8-14-20(21)26-22(28)16-17-24-23(29)25-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,26,28)(H2,24,25,29)
InChIKeyXIBBVWWUBGBMNZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.60
Rot. Bonds7

About N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide

N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 55726221) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide
PubChem CID55726221
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide
SMILESCN(c1ccccc1)c1ccccc1NC(=O)CCNC(=O)Nc1ccccc1
InChIInChI=1S/C23H24N4O2/c1-27(19-12-6-3-7-13-19)21-15-9-8-14-20(21)26-22(28)16-17-24-23(29)25-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,26,28)(H2,24,25,29)
InChIKeyXIBBVWWUBGBMNZ-UHFFFAOYSA-N
XLogP4.60
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide 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-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
3-acetamido-N-phenylpropanamide
CID 7946185
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
methyl 2-[2-(N-methylanilino)anilino]acetate
CID 47313605
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
N-[4-(N-methylanilino)phenyl]butanamide
CID 112986076
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
CID 35603930
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide (CID 55726221) is N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide is CN(c1ccccc1)c1ccccc1NC(=O)CCNC(=O)Nc1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is XIBBVWWUBGBMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27(19-12-6-3-7-13-19)21-15-9-8-14-20(21)26-22(28)16-17-24-23(29)25-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,26,28)(H2,24,25,29).
What are the key properties of N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide?
N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)phenyl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55726221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).