N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide

C18H23NO2 — CID 63995979

IUPACN-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-2-17(13-15-6-7-15)19-18(21)16-10-8-14(9-11-16)5-3-4-12-20/h8-11,15,17,20H,2,4,6-7,12-13H2,1H3,(H,19,21)
InChIKeyOBLRMVPUXCHNOI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide

N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 63995979) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID63995979
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(CC1CC1)NC(=O)c1ccc(C#CCCO)cc1
InChIInChI=1S/C18H23NO2/c1-2-17(13-15-6-7-15)19-18(21)16-10-8-14(9-11-16)5-3-4-12-20/h8-11,15,17,20H,2,4,6-7,12-13H2,1H3,(H,19,21)
InChIKeyOBLRMVPUXCHNOI-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63995980
N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 63994001
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
N-hexan-3-yl-3-(4-hydroxybut-1-ynyl)benzamide
CID 62093118
N-cyclobutyl-4-(4-hydroxybut-1-ynyl)benzamide
CID 62414049
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-pentan-3-ylbenzamide
CID 60815505
N-(1-cyclopropylbutan-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63996180
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
(2,6-dimethylpiperidin-1-yl)-[4-(4-hydroxybut-1-ynyl)phenyl]methanone
CID 60816372
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide (CID 63995979) is N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide is CCC(CC1CC1)NC(=O)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is OBLRMVPUXCHNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-17(13-15-6-7-15)19-18(21)16-10-8-14(9-11-16)5-3-4-12-20/h8-11,15,17,20H,2,4,6-7,12-13H2,1H3,(H,19,21).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide?
N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 63995979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).