N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide

C18H25NO2 — CID 81460684

IUPACN-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1ccc(C)c(C#CCCO)c1
InChIInChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-10-9-15(4)16(12-17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3
InChIKeyZECDCNLMLOEFDL-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.85
Rot. Bonds5

About N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide

N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 81460684) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID81460684
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCCN(CC(C)C)C(=O)c1ccc(C)c(C#CCCO)c1
InChIInChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-10-9-15(4)16(12-17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3
InChIKeyZECDCNLMLOEFDL-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.85
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-2-(4-hydroxybut-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81112077
3-(3-aminoprop-1-ynyl)-N,N-diethyl-4-methylbenzamide
CID 81476301
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N,4-dimethylbenzamide
CID 81459793
3-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81460123
3-chloro-N-ethyl-4-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 81290567
N-(2-amino-2-oxoethyl)-3-(4-hydroxybut-1-ynyl)-4-methylbenzamide
CID 81476925
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-4-methylbenzamide
CID 81476144
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N-(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-N,4-dimethylbenzamide
CID 81475776
N-ethyl-3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 115999998
3-(4-hydroxybut-1-ynyl)-N-(1-hydroxypropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104553597
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-4-methoxy-N-methylbenzamide
CID 61034218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide (CID 81460684) is N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide is CCN(CC(C)C)C(=O)c1ccc(C)c(C#CCCO)c1.
What is the InChIKey of N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZECDCNLMLOEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-19(13-14(2)3)18(21)17-10-9-15(4)16(12-17)8-6-7-11-20/h9-10,12,14,20H,5,7,11,13H2,1-4H3.
What are the key properties of N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide?
N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 287.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-hydroxybut-1-ynyl)-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 81460684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).