1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

C19H29N3O3 — CID 60592901

IUPAC1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC1C(=O)NCCN(C)CC
InChIInChI=1S/C19H29N3O3/c1-4-21(3)14-12-20-18(23)16-10-8-13-22(16)19(24)15-9-6-7-11-17(15)25-5-2/h6-7,9,11,16H,4-5,8,10,12-14H2,1-3H3,(H,20,23)
InChIKeyOJEKZEQYPISADY-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.76
Rot. Bonds8

About 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (PubChem CID 60592901) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
PubChem CID60592901
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC1C(=O)NCCN(C)CC
InChIInChI=1S/C19H29N3O3/c1-4-21(3)14-12-20-18(23)16-10-8-13-22(16)19(24)15-9-6-7-11-17(15)25-5-2/h6-7,9,11,16H,4-5,8,10,12-14H2,1-3H3,(H,20,23)
InChIKeyOJEKZEQYPISADY-UHFFFAOYSA-N
XLogP1.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 51953533
1-(2-ethoxybenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576678
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
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 56576280
(2S)-1-[2-(2-ethoxyethoxy)benzoyl]-N-methylpiperidine-2-carboxamide
CID 124756393
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
1-(2-ethoxybenzoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55622753
1-(2-ethoxybenzoyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
CID 56508627
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 56555905

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide (CID 60592901) is 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is CCOc1ccccc1C(=O)N1CCCC1C(=O)NCCN(C)CC.
What is the InChIKey of 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OJEKZEQYPISADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-21(3)14-12-20-18(23)16-10-8-13-22(16)19(24)15-9-6-7-11-17(15)25-5-2/h6-7,9,11,16H,4-5,8,10,12-14H2,1-3H3,(H,20,23).
What are the key properties of 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide?
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60592901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).