3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

C22H29N3O — CID 119107329

IUPAC3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCc1ccccc1CNC(C)CC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H29N3O/c1-17-8-3-4-9-19(17)16-23-18(2)14-22(26)24-20-10-7-11-21(15-20)25-12-5-6-13-25/h3-4,7-11,15,18,23H,5-6,12-14,16H2,1-2H3,(H,24,26)
InChIKeyYOQQYSHQPVVCRP-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.10
Rot. Bonds7

About 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 119107329) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID119107329
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCc1ccccc1CNC(C)CC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H29N3O/c1-17-8-3-4-9-19(17)16-23-18(2)14-22(26)24-20-10-7-11-21(15-20)25-12-5-6-13-25/h3-4,7-11,15,18,23H,5-6,12-14,16H2,1-2H3,(H,24,26)
InChIKeyYOQQYSHQPVVCRP-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide 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-[(5-methylthiophen-2-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107315
3-(pyridin-4-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107312
3-[(3,5-dimethoxyphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 119107334
5-amino-2-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide;dihydrochloride
CID 120645944
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
3-[(2-amino-2-methylpropanoyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide;dihydrochloride
CID 119872888
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
6-[[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]amino]pyridine-2-carboxylic acid
CID 122054475
1-amino-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119872902
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 119107329) is 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is Cc1ccccc1CNC(C)CC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is YOQQYSHQPVVCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-8-3-4-9-19(17)16-23-18(2)14-22(26)24-20-10-7-11-21(15-20)25-12-5-6-13-25/h3-4,7-11,15,18,23H,5-6,12-14,16H2,1-2H3,(H,24,26).
What are the key properties of 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide?
3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 351.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 119107329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).