1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

C16H22N2O2 — CID 4595418

IUPAC1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CCCN1C(C)=O)c1ccccc1C
InChIInChI=1S/C16H22N2O2/c1-4-17(14-9-6-5-8-12(14)2)16(20)15-10-7-11-18(15)13(3)19/h5-6,8-9,15H,4,7,10-11H2,1-3H3
InChIKeyRVAYHVOQEDXURH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.36
Rot. Bonds3

About 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide

1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 4595418) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID4595418
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CCCN1C(C)=O)c1ccccc1C
InChIInChI=1S/C16H22N2O2/c1-4-17(14-9-6-5-8-12(14)2)16(20)15-10-7-11-18(15)13(3)19/h5-6,8-9,15H,4,7,10-11H2,1-3H3
InChIKeyRVAYHVOQEDXURH-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 39692566
(2S)-1-[2-[2-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetyl]pyrrolidine-2-carboxylic acid
CID 70069770
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702
1-benzoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112827008
(2S)-1-acetyl-N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 94033106
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
N-ethyl-3-[(3R)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 124757798
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide (CID 4595418) is 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is CCN(C(=O)C1CCCN1C(C)=O)c1ccccc1C.
What is the InChIKey of 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is RVAYHVOQEDXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17(14-9-6-5-8-12(14)2)16(20)15-10-7-11-18(15)13(3)19/h5-6,8-9,15H,4,7,10-11H2,1-3H3.
What are the key properties of 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide?
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4595418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).