N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide

C18H23NO2 — CID 81111948

IUPACN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C#CCO)c(C(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19(16-8-9-16)18(21)17-11-14(3)6-7-15(17)5-4-10-20/h6-7,11,13,16,20H,8-10,12H2,1-3H3
InChIKeyXDAYFSLQCBQKMS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide

N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (PubChem CID 81111948) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
PubChem CID81111948
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C#CCO)c(C(=O)N(CC(C)C)C2CC2)c1
InChIInChI=1S/C18H23NO2/c1-13(2)12-19(16-8-9-16)18(21)17-11-14(3)6-7-15(17)5-4-10-20/h6-7,11,13,16,20H,8-10,12H2,1-3H3
InChIKeyXDAYFSLQCBQKMS-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
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

N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111346
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 81111949
N,N-diethyl-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112466
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-pentan-2-ylbenzamide
CID 81111565
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 81111695
N-ethyl-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81112077
2-(3-aminoprop-1-ynyl)-5-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 81112737
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81112599
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 102787030

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (CID 81111948) is N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C#CCO)c(C(=O)N(CC(C)C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is XDAYFSLQCBQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)12-19(16-8-9-16)18(21)17-11-14(3)6-7-15(17)5-4-10-20/h6-7,11,13,16,20H,8-10,12H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 81111948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).