1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C22H32FN3O2 — CID 55471178

IUPAC1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H32FN3O2/c1-24(2)22(28)20-9-6-14-25(20)16-21(27)26(19-7-4-3-5-8-19)15-17-10-12-18(23)13-11-17/h10-13,19-20H,3-9,14-16H2,1-2H3
InChIKeyCIPXNIQXLMTZHE-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.04
Rot. Bonds6

About 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 55471178) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID55471178
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C22H32FN3O2/c1-24(2)22(28)20-9-6-14-25(20)16-21(27)26(19-7-4-3-5-8-19)15-17-10-12-18(23)13-11-17/h10-13,19-20H,3-9,14-16H2,1-2H3
InChIKeyCIPXNIQXLMTZHE-UHFFFAOYSA-N
XLogP3.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-ylpiperazin-1-yl)acetamide
CID 56539756
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 95289187
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654
N-cyclohexyl-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 7568278
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
1-[3-[[ethylamino-[(4-fluorophenyl)methyl-methylamino]methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 111307800
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051350
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 55471178) is 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CIPXNIQXLMTZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-24(2)22(28)20-9-6-14-25(20)16-21(27)26(19-7-4-3-5-8-19)15-17-10-12-18(23)13-11-17/h10-13,19-20H,3-9,14-16H2,1-2H3.
What are the key properties of 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55471178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).