N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide

C18H23NO2 — CID 115999986

IUPACN-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
SMILESCc1cc(C#CCCO)cc(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C18H23NO2/c1-14-11-15(7-5-6-10-20)13-16(12-14)18(21)19(2)17-8-3-4-9-17/h11-13,17,20H,3-4,6,8-10H2,1-2H3
InChIKeySDUMBEGWRRFCOB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds3

About N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide

N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide (PubChem CID 115999986) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
PubChem CID115999986
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide
SMILESCc1cc(C#CCCO)cc(C(=O)N(C)C2CCCC2)c1
InChIInChI=1S/C18H23NO2/c1-14-11-15(7-5-6-10-20)13-16(12-14)18(21)19(2)17-8-3-4-9-17/h11-13,17,20H,3-4,6,8-10H2,1-2H3
InChIKeySDUMBEGWRRFCOB-UHFFFAOYSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(oxan-4-yl)benzamide
CID 115999931
methyl 2-[[3-(4-hydroxybut-1-ynyl)-5-methylbenzoyl]-methylamino]acetate
CID 115999883
3-chloro-N-cyclopentyl-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 81290465
3-(4-hydroxybut-1-ynyl)-N,5-dimethyl-N-pentylbenzamide
CID 115999900
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 60815763
[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-pyrrolidin-1-ylmethanone
CID 115999751
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-piperidin-1-ylmethanone
CID 115999809
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
4-(3,5-dimethylphenyl)but-3-yn-1-ol
CID 60918613
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide?
The IUPAC name of N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide (CID 115999986) is N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide?
The canonical SMILES for N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide is Cc1cc(C#CCCO)cc(C(=O)N(C)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide?
The InChIKey is SDUMBEGWRRFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-11-15(7-5-6-10-20)13-16(12-14)18(21)19(2)17-8-3-4-9-17/h11-13,17,20H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide?
N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-hydroxybut-1-ynyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 115999986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).