1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C19H27N3O2 — CID 57166210

IUPAC1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2/c20-19(24)17-12-7-13-21(17)14-18(23)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H2,20,24)
InChIKeySJHAKFYMGOBQST-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 57166210) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID57166210
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1CC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2/c20-19(24)17-12-7-13-21(17)14-18(23)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H2,20,24)
InChIKeySJHAKFYMGOBQST-UHFFFAOYSA-N
XLogP2.30
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenacylpiperidine-2-carboxamide
CID 60681003
(2R)-1-[2-(N-cyclohexylanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide
CID 9304512
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-phenylacetamide
CID 98363739
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
3-[2-(N-cyclohexylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539167
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 57166210) is 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1CC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is SJHAKFYMGOBQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-19(24)17-12-7-13-21(17)14-18(23)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1,3-4,8-9,16-17H,2,5-7,10-14H2,(H2,20,24).
What are the key properties of 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-cyclohexylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 57166210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).