1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 86911818

IUPAC1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(20)19-11-6-9-15(19)16(21)17-10-12-18(2)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyKTZSXDJDQUNZNC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.25
Rot. Bonds5

About 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide

1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide (PubChem CID 86911818) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
PubChem CID86911818
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCCN(C)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(20)19-11-6-9-15(19)16(21)17-10-12-18(2)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3,(H,17,21)
InChIKeyKTZSXDJDQUNZNC-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[2-(N-methylanilino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124524957
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 47989978
(3R)-1-(2,2-dimethylpropanoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 95149532
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
(2R)-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 103813393
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
CID 112834837
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide (CID 86911818) is 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCCN(C)c1ccccc1.
What is the InChIKey of 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is KTZSXDJDQUNZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)19-11-6-9-15(19)16(21)17-10-12-18(2)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-12H2,1-2H3,(H,17,21).
What are the key properties of 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86911818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).