5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide

C18H26N2O — CID 79482914

IUPAC5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C18H26N2O/c1-5-14(3)13-20(6-2)18(21)17-12-16(8-7-11-19)10-9-15(17)4/h9-10,12,14H,5-6,11,13,19H2,1-4H3
InChIKeyOHJBKCJNEOBRPZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.81
Rot. Bonds5

About 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide

5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide (PubChem CID 79482914) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
PubChem CID79482914
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C18H26N2O/c1-5-14(3)13-20(6-2)18(21)17-12-16(8-7-11-19)10-9-15(17)4/h9-10,12,14H,5-6,11,13,19H2,1-4H3
InChIKeyOHJBKCJNEOBRPZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.81
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

5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-(2-methylbutyl)benzamide
CID 65311356
5-(3-aminoprop-1-ynyl)-N-(2-cyanopropyl)-N-ethyl-2-methylbenzamide
CID 65310437
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
N-ethyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65310712
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-2-yl)-2-methylbenzamide
CID 65310546
4-(3-aminoprop-1-ynyl)-N-butyl-N-ethyl-2-fluorobenzamide
CID 60821117
3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1,1-diethylurea
CID 79161390
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 65309932
N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79470876
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide (CID 79482914) is 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(CC)C(=O)c1cc(C#CCN)ccc1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is OHJBKCJNEOBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14(3)13-20(6-2)18(21)17-12-16(8-7-11-19)10-9-15(17)4/h9-10,12,14H,5-6,11,13,19H2,1-4H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide?
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 286.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 79482914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).