(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide

C19H27N3O4 — CID 51953533

IUPAC(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C19H27N3O4/c1-5-26-16-11-7-6-9-14(16)19(25)22-12-8-10-15(22)17(23)20-13(2)18(24)21(3)4/h6-7,9,11,13,15H,5,8,10,12H2,1-4H3,(H,20,23)/t13-,15+/m0/s1
InChIKeyLECZFKCKMUQSRW-DZGCQCFKSA-N
MW361.44 g/mol
LogP1.28
Rot. Bonds6

About (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide

(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 51953533) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID51953533
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C19H27N3O4/c1-5-26-16-11-7-6-9-14(16)19(25)22-12-8-10-15(22)17(23)20-13(2)18(24)21(3)4/h6-7,9,11,13,15H,5,8,10,12H2,1-4H3,(H,20,23)/t13-,15+/m0/s1
InChIKeyLECZFKCKMUQSRW-DZGCQCFKSA-N
XLogP1.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 60592901
1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
1-(2-ethoxybenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576678
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 56576280
N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
1-(2-ethoxybenzoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55622753
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 60604811
1-(2-ethoxybenzoyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxamide
CID 138998505
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide (CID 51953533) is (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide is CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is LECZFKCKMUQSRW-DZGCQCFKSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-5-26-16-11-7-6-9-14(16)19(25)22-12-8-10-15(22)17(23)20-13(2)18(24)21(3)4/h6-7,9,11,13,15H,5,8,10,12H2,1-4H3,(H,20,23)/t13-,15+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide?
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51953533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).