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

C20H31N3O3 — CID 119537745

IUPAC4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O3/c1-4-26-17-7-5-16(6-8-17)19(24)23-18(14(2)3)20(25)22-12-10-15-9-11-21-13-15/h5-8,14-15,18,21H,4,9-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBJOKPOXOUKIQHL-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.96
Rot. Bonds9

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

4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide (PubChem CID 119537745) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
PubChem CID119537745
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O3/c1-4-26-17-7-5-16(6-8-17)19(24)23-18(14(2)3)20(25)22-12-10-15-9-11-21-13-15/h5-8,14-15,18,21H,4,9-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBJOKPOXOUKIQHL-UHFFFAOYSA-N
XLogP1.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
N-[(2R)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 26918649
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]benzamide
CID 8892114

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide (CID 119537745) is 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide is CCOc1ccc(C(=O)NC(C(=O)NCCC2CCNC2)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
The InChIKey is BJOKPOXOUKIQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-17-7-5-16(6-8-17)19(24)23-18(14(2)3)20(25)22-12-10-15-9-11-21-13-15/h5-8,14-15,18,21H,4,9-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide?
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 119537745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).