N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide

C18H25NO2 — CID 60816084

IUPACN,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C18H25NO2/c1-3-5-13-19(14-6-4-2)18(21)17-11-9-16(10-12-17)8-7-15-20/h9-12,20H,3-6,13-15H2,1-2H3
InChIKeyGEFMJPSCOILOLC-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.07
Rot. Bonds7

About N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide

N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 60816084) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID60816084
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCCCCN(CCCC)C(=O)c1ccc(C#CCO)cc1
InChIInChI=1S/C18H25NO2/c1-3-5-13-19(14-6-4-2)18(21)17-11-9-16(10-12-17)8-7-15-20/h9-12,20H,3-6,13-15H2,1-2H3
InChIKeyGEFMJPSCOILOLC-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.07
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-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79470876
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62923888
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 107400546
N-butyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034198
N-butyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695876
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
N,N-dibutyl-4-methoxybenzamide
CID 2163395
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
N-butyl-N-(2-hydroxyethyl)-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61447827
4-bromo-N,N-dipentylbenzamide
CID 4599077

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide (CID 60816084) is N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide is CCCCN(CCCC)C(=O)c1ccc(C#CCO)cc1.
What is the InChIKey of N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is GEFMJPSCOILOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-5-13-19(14-6-4-2)18(21)17-11-9-16(10-12-17)8-7-15-20/h9-12,20H,3-6,13-15H2,1-2H3.
What are the key properties of N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide?
N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 60816084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).