N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide

C21H25N3O3 — CID 46995483

IUPACN-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(NC(=O)C(C)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15(24-11-3-4-12-24)20(25)22-17-8-5-7-16(13-17)21(26)23-18-9-6-10-19(14-18)27-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFPEJHINNYHNJPD-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.37
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide

N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide (PubChem CID 46995483) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
PubChem CID46995483
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(NC(=O)C(C)N3CCCC3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15(24-11-3-4-12-24)20(25)22-17-8-5-7-16(13-17)21(26)23-18-9-6-10-19(14-18)27-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFPEJHINNYHNJPD-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide 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

methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 43054461
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide (CID 46995483) is N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide is COc1cccc(NC(=O)c2cccc(NC(=O)C(C)N3CCCC3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide?
The InChIKey is FPEJHINNYHNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(24-11-3-4-12-24)20(25)22-17-8-5-7-16(13-17)21(26)23-18-9-6-10-19(14-18)27-2/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide?
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide is sourced from PubChem (CID 46995483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).