N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide

C18H26N2O3 — CID 70749423

IUPACN-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-17(2,23)11-8-13-6-5-7-14(12-13)15(21)20-18(16(19)22)9-3-4-10-18/h5-7,12,23H,3-4,8-11H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyJCZQYGZFDVSKDP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.92
Rot. Bonds6

About N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide

N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70749423) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70749423
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCC(C)(O)CCc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-17(2,23)11-8-13-6-5-7-14(12-13)15(21)20-18(16(19)22)9-3-4-10-18/h5-7,12,23H,3-4,8-11H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyJCZQYGZFDVSKDP-UHFFFAOYSA-N
XLogP1.92
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70719311
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
N-(1-carbamoylcyclopentyl)-3-(2-methylpropanoylamino)benzamide
CID 131942717
N-[(1R,2R)-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70769043
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cyclohexane-1-carboxylic acid
CID 120512710
1-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]cycloheptane-1-carboxylic acid
CID 120538700
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
N-[[(2S)-1,4-dioxan-2-yl]methyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95861904
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 95885487
N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 72875646
N-(1-carbamothioylcycloheptyl)-3-fluorobenzamide
CID 61119189

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70749423) is N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide is CC(C)(O)CCc1cccc(C(=O)NC2(C(N)=O)CCCC2)c1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is JCZQYGZFDVSKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2,23)11-8-13-6-5-7-14(12-13)15(21)20-18(16(19)22)9-3-4-10-18/h5-7,12,23H,3-4,8-11H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide?
N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70749423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).