2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide

C16H20N2O2 — CID 61455562

IUPAC2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H20N2O2/c1-20-12-11-18(14-8-9-14)16(19)15-7-3-2-5-13(15)6-4-10-17/h2-3,5,7,14H,8-12,17H2,1H3
InChIKeyANPQHFUHVCOMQO-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.25
Rot. Bonds5

About 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide (PubChem CID 61455562) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
PubChem CID61455562
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C(=O)c1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H20N2O2/c1-20-12-11-18(14-8-9-14)16(19)15-7-3-2-5-13(15)6-4-10-17/h2-3,5,7,14H,8-12,17H2,1H3
InChIKeyANPQHFUHVCOMQO-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
3-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 54969808
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009322
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
N-cyclopropyl-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62174760

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide (CID 61455562) is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide is COCCN(C(=O)c1ccccc1C#CCN)C1CC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
The InChIKey is ANPQHFUHVCOMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-12-11-18(14-8-9-14)16(19)15-7-3-2-5-13(15)6-4-10-17/h2-3,5,7,14H,8-12,17H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide?
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 61455562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).