(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H27N3O3 — CID 95132752

IUPAC(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-3-25-17-8-6-16(7-9-17)22-13-14(12-18(22)23)19(24)20-10-11-21(2)15-4-5-15/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyBNKSXHLEVVBBDL-AWEZNQCLSA-N
MW345.44 g/mol
LogP1.65
Rot. Bonds8

About (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95132752) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95132752
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O3/c1-3-25-17-8-6-16(7-9-17)22-13-14(12-18(22)23)19(24)20-10-11-21(2)15-4-5-15/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1
InChIKeyBNKSXHLEVVBBDL-AWEZNQCLSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188204
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
1-(4-ethoxyphenyl)-N-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18189998
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
1-(4-ethoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 18272429
1-(4-ethoxyphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 24628562
1-(4-ethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46400008
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18077686
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-ethoxyphenyl)-5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 46481073
N-[2-(3-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18190011
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109790

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 95132752) is (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@@H](C(=O)NCCN(C)C3CC3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNKSXHLEVVBBDL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-25-17-8-6-16(7-9-17)22-13-14(12-18(22)23)19(24)20-10-11-21(2)15-4-5-15/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95132752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).