4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide

C20H33N5O2 — CID 86777814

IUPAC4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)Nc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C20H33N5O2/c1-5-24-10-6-7-17(24)14-25(12-11-23(3)4)20(27)22-16-8-9-18(19(21)26)15(2)13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3,(H2,21,26)(H,22,27)
InChIKeyDFFHSZADUPRZFQ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.97
Rot. Bonds8

About 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide

4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide (PubChem CID 86777814) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
PubChem CID86777814
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide
SMILESCCN1CCCC1CN(CCN(C)C)C(=O)Nc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C20H33N5O2/c1-5-24-10-6-7-17(24)14-25(12-11-23(3)4)20(27)22-16-8-9-18(19(21)26)15(2)13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3,(H2,21,26)(H,22,27)
InChIKeyDFFHSZADUPRZFQ-UHFFFAOYSA-N
XLogP1.97
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-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

1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
1-[2-(dimethylamino)ethyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 102558441
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N'-[2-(dimethylamino)ethyl]-N'-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 166401642
N-[2-(dimethylamino)ethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 51105924
3-(4-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 1462373
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 25451466
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 1462366
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylurea
CID 3194547
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195061
3-(4-chlorophenyl)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 25452235
N-(2-aminophenyl)-4-[[[4-(dimethylamino)phenyl]carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]methyl]benzamide
CID 58001057
N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide
CID 52502615

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide (CID 86777814) is 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide is CCN1CCCC1CN(CCN(C)C)C(=O)Nc1ccc(C(N)=O)c(C)c1.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide?
The InChIKey is DFFHSZADUPRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-24-10-6-7-17(24)14-25(12-11-23(3)4)20(27)22-16-8-9-18(19(21)26)15(2)13-16/h8-9,13,17H,5-7,10-12,14H2,1-4H3,(H2,21,26)(H,22,27).
What are the key properties of 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide?
4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide has a molecular weight of 375.52 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-[(1-ethylpyrrolidin-2-yl)methyl]carbamoyl]amino]-2-methylbenzamide is sourced from PubChem (CID 86777814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).