3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide

C21H24N4O3 — CID 46568152

IUPAC3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1
InChIInChI=1S/C21H24N4O3/c1-23-21(28)16-3-2-4-17(11-16)24-19(26)13-25(18-9-10-18)12-14-5-7-15(8-6-14)20(22)27/h2-8,11,18H,9-10,12-13H2,1H3,(H2,22,27)(H,23,28)(H,24,26)
InChIKeyFTFRFTIMEODEJB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.75
Rot. Bonds8

About 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide

3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide (PubChem CID 46568152) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
PubChem CID46568152
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1
InChIInChI=1S/C21H24N4O3/c1-23-21(28)16-3-2-4-17(11-16)24-19(26)13-25(18-9-10-18)12-14-5-7-15(8-6-14)20(22)27/h2-8,11,18H,9-10,12-13H2,1H3,(H2,22,27)(H,23,28)(H,24,26)
InChIKeyFTFRFTIMEODEJB-UHFFFAOYSA-N
XLogP1.75
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide 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-[[2-[benzyl(cyclopropyl)amino]acetyl]amino]-N-methylbenzamide
CID 46643223
3-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-methylbenzamide
CID 8906749
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299
N-(3-acetylphenyl)-2-[benzyl(cyclohexyl)amino]acetamide
CID 52688849
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
3-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 37212825
3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]-N-methylbenzamide
CID 33097961
4-[[cyclopropyl-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]amino]methyl]benzamide
CID 46568042
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide (CID 46568152) is 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1.
What is the InChIKey of 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide?
The InChIKey is FTFRFTIMEODEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-23-21(28)16-3-2-4-17(11-16)24-19(26)13-25(18-9-10-18)12-14-5-7-15(8-6-14)20(22)27/h2-8,11,18H,9-10,12-13H2,1H3,(H2,22,27)(H,23,28)(H,24,26).
What are the key properties of 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide?
3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(4-carbamoylphenyl)methyl-cyclopropylamino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46568152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).