2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide

C18H22N2O — CID 81112328

IUPAC2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1ccc(C#CCN)c(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C18H22N2O/c1-13-4-7-15(3-2-10-19)17(11-13)18(21)20(16-8-9-16)12-14-5-6-14/h4,7,11,14,16H,5-6,8-10,12,19H2,1H3
InChIKeyBIYDYLCSCBYDKG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.32
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide (PubChem CID 81112328) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
PubChem CID81112328
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
SMILESCc1ccc(C#CCN)c(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C18H22N2O/c1-13-4-7-15(3-2-10-19)17(11-13)18(21)20(16-8-9-16)12-14-5-6-14/h4,7,11,14,16H,5-6,8-10,12,19H2,1H3
InChIKeyBIYDYLCSCBYDKG-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.32
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

2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 81111948
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 81111985
2-(3-aminoprop-1-ynyl)-5-methyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 81112737
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 81111831
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(3-methylbutyl)benzamide
CID 81112615
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64522020
[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959905
2-(3-aminoprop-1-ynyl)-N-(2-bicyclo[2.2.1]heptanyl)-5-methylbenzamide
CID 81112326

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide (CID 81112328) is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide is Cc1ccc(C#CCN)c(C(=O)N(CC2CC2)C2CC2)c1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
The InChIKey is BIYDYLCSCBYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-4-7-15(3-2-10-19)17(11-13)18(21)20(16-8-9-16)12-14-5-6-14/h4,7,11,14,16H,5-6,8-10,12,19H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide is sourced from PubChem (CID 81112328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).