N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C19H26N2O3 — CID 111460220

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C19H26N2O3/c22-17-4-1-3-15(11-17)13-20-18(23)12-14-6-8-16(9-7-14)21-10-2-5-19(21)24/h6-9,15,17,22H,1-5,10-13H2,(H,20,23)
InChIKeyKQTCAAHVSWWMSM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.02
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 111460220) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID111460220
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CCCC(O)C1
InChIInChI=1S/C19H26N2O3/c22-17-4-1-3-15(11-17)13-20-18(23)12-14-6-8-16(9-7-14)21-10-2-5-19(21)24/h6-9,15,17,22H,1-5,10-13H2,(H,20,23)
InChIKeyKQTCAAHVSWWMSM-UHFFFAOYSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113241307
N-[(3-hydroxycyclohexyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111459837
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43020655
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280483
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157169
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 111460220) is N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is KQTCAAHVSWWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17-4-1-3-15(11-17)13-20-18(23)12-14-6-8-16(9-7-14)21-10-2-5-19(21)24/h6-9,15,17,22H,1-5,10-13H2,(H,20,23).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 111460220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).