(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C20H29N3O2 — CID 95275198

IUPAC(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1
InChIInChI=1S/C20H29N3O2/c1-3-22(2)12-17-6-4-5-16(9-17)11-21-20(25)18-10-19(24)23(14-18)13-15-7-8-15/h4-6,9,15,18H,3,7-8,10-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyYLYVUNSYPQJMLW-GOSISDBHSA-N
MW343.47 g/mol
LogP2.01
Rot. Bonds8

About (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95275198) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95275198
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1
InChIInChI=1S/C20H29N3O2/c1-3-22(2)12-17-6-4-5-16(9-17)11-21-20(25)18-10-19(24)23(14-18)13-15-7-8-15/h4-6,9,15,18H,3,7-8,10-14H2,1-2H3,(H,21,25)/t18-/m1/s1
InChIKeyYLYVUNSYPQJMLW-GOSISDBHSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 97077053
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 95273682
N-[[3-(dimethylamino)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51100823
(3R)-1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97206956
1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72924619
(3R)-N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 94820599
(3R)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95764725
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 166178785
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 95275198) is (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN(C)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YLYVUNSYPQJMLW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-22(2)12-17-6-4-5-16(9-17)11-21-20(25)18-10-19(24)23(14-18)13-15-7-8-15/h4-6,9,15,18H,3,7-8,10-14H2,1-2H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95275198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).