4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide

C19H29N3O2 — CID 119534796

IUPAC4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-11-9-15-8-10-20-12-15)22-18(23)16-6-4-14(3)5-7-16/h4-7,13,15,17,20H,8-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBYIDTMCXONDKOX-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.87
Rot. Bonds7

About 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide

4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide (PubChem CID 119534796) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
PubChem CID119534796
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-11-9-15-8-10-20-12-15)22-18(23)16-6-4-14(3)5-7-16/h4-7,13,15,17,20H,8-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBYIDTMCXONDKOX-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]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

4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119535468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide (CID 119534796) is 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The InChIKey is BYIDTMCXONDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)17(19(24)21-11-9-15-8-10-20-12-15)22-18(23)16-6-4-14(3)5-7-16/h4-7,13,15,17,20H,8-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide has a molecular weight of 331.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 119534796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).