N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide

C18H21NO2 — CID 64522020

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(c1ccccc1C#CCCO)N(CC1CC1)C1CC1
InChIInChI=1S/C18H21NO2/c20-12-4-3-6-15-5-1-2-7-17(15)18(21)19(16-10-11-16)13-14-8-9-14/h1-2,5,7,14,16,20H,4,8-13H2
InChIKeyILHISTFRRHAJDS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.44
Rot. Bonds5

About N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide

N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 64522020) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID64522020
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(c1ccccc1C#CCCO)N(CC1CC1)C1CC1
InChIInChI=1S/C18H21NO2/c20-12-4-3-6-15-5-1-2-7-17(15)18(21)19(16-10-11-16)13-14-8-9-14/h1-2,5,7,14,16,20H,4,8-13H2
InChIKeyILHISTFRRHAJDS-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.44
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-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858720
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63960510
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
2-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylbutyl)benzamide
CID 61429076
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide (CID 64522020) is N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide is O=C(c1ccccc1C#CCCO)N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is ILHISTFRRHAJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-12-4-3-6-15-5-1-2-7-17(15)18(21)19(16-10-11-16)13-14-8-9-14/h1-2,5,7,14,16,20H,4,8-13H2.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide?
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 64522020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).