(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide

C19H26N2O4 — CID 51594975

IUPAC(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
SMILESCCCc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)OCO2
InChIInChI=1S/C19H26N2O4/c1-4-5-13-6-16-17(25-11-24-16)8-15(13)20-19(23)14-7-18(22)21(10-14)9-12(2)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeySCDPRAGJARZLKO-CQSZACIVSA-N
MW346.43 g/mol
LogP2.81
Rot. Bonds6

About (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide

(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 51594975) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
PubChem CID51594975
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide
SMILESCCCc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)OCO2
InChIInChI=1S/C19H26N2O4/c1-4-5-13-6-16-17(25-11-24-16)8-15(13)20-19(23)14-7-18(22)21(10-14)9-12(2)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3,(H,20,23)/t14-/m1/s1
InChIKeySCDPRAGJARZLKO-CQSZACIVSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-[4-(diethylamino)-2-methylphenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182073
N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618569
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
N-(2-hydroxy-2-methylpentyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103713275
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide (CID 51594975) is (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide is CCCc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)OCO2.
What is the InChIKey of (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is SCDPRAGJARZLKO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-5-13-6-16-17(25-11-24-16)8-15(13)20-19(23)14-7-18(22)21(10-14)9-12(2)3/h6,8,12,14H,4-5,7,9-11H2,1-3H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide?
(3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropyl)-5-oxo-N-(6-propyl-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51594975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).