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

C17H23NO2 — CID 115999998

IUPACN-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)cc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-5-18(12-13(2)3)17(20)16-10-14(4)9-15(11-16)7-6-8-19/h9-11,13,19H,5,8,12H2,1-4H3
InChIKeyWLAQCMNMWLDAOY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds4

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

N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (PubChem CID 115999998) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
PubChem CID115999998
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1cc(C)cc(C#CCO)c1
InChIInChI=1S/C17H23NO2/c1-5-18(12-13(2)3)17(20)16-10-14(4)9-15(11-16)7-6-8-19/h9-11,13,19H,5,8,12H2,1-4H3
InChIKeyWLAQCMNMWLDAOY-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
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,N-diethyl-m-toluamide
CID 4284
4-(Diethylcarbamoyl)phenylboronic Acid
CID 2773375
N,N-Dibutylbenzamide
CID 32774
Azepan-1-yl(3-methylphenyl)methanone
CID 247215
N,N-dihexylbenzamide
CID 4577308
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
1-(3,5-Dimethylbenzoyl)azepane
CID 912590
Benzamide, N,N-dipropyl-
CID 139800
N,N,N',N'-Tetraethylterephthalamide
CID 139931
3-Methyl-N,N-di(propan-2-yl)benzamide
CID 226948
(3,5-Dimethylphenyl)(piperidin-1-yl)methanone
CID 249329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide (CID 115999998) is N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1cc(C)cc(C#CCO)c1.
What is the InChIKey of N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is WLAQCMNMWLDAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-18(12-13(2)3)17(20)16-10-14(4)9-15(11-16)7-6-8-19/h9-11,13,19H,5,8,12H2,1-4H3.
What are the key properties of N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide?
N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 273.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 115999998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).