N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H28N2O3 — CID 110003976

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-21(14-17-7-2-3-9-18(17)23)20(25)16-8-4-6-15(12-16)13-22-11-5-10-19(22)24/h4,6,8,12,17-18,23H,2-3,5,7,9-11,13-14H2,1H3
InChIKeyIJDKBHLBVKOXBI-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.43
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 110003976) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID110003976
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCN(CC1CCCCC1O)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-21(14-17-7-2-3-9-18(17)23)20(25)16-8-4-6-15(12-16)13-22-11-5-10-19(22)24/h4,6,8,12,17-18,23H,2-3,5,7,9-11,13-14H2,1H3
InChIKeyIJDKBHLBVKOXBI-UHFFFAOYSA-N
XLogP2.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 109400327
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
CID 126804160
3-N-[(2-hydroxycyclohexyl)methyl]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 110003462
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46584276
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
N-cyclopropyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55581710
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
3-[[(2R)-oxolan-2-yl]methyl-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 125152528

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 110003976) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CN(CC1CCCCC1O)C(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is IJDKBHLBVKOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21(14-17-7-2-3-9-18(17)23)20(25)16-8-4-6-15(12-16)13-22-11-5-10-19(22)24/h4,6,8,12,17-18,23H,2-3,5,7,9-11,13-14H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 344.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 110003976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).