2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide

C16H24N2O2 — CID 61108147

IUPAC2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1cccc(C)c1N)C(C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-14(15(11)17)16(19)18(9-10-20-3)12(2)13-7-8-13/h4-6,12-13H,7-10,17H2,1-3H3
InChIKeyXYAMLDYXOSUHBC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.46
Rot. Bonds6

About 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide

2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide (PubChem CID 61108147) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
PubChem CID61108147
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1cccc(C)c1N)C(C)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11-5-4-6-14(15(11)17)16(19)18(9-10-20-3)12(2)13-7-8-13/h4-6,12-13H,7-10,17H2,1-3H3
InChIKeyXYAMLDYXOSUHBC-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 103296114
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbenzoic acid
CID 107112105
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950
5-amino-2-bromo-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 62816823
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 60793269
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
2-(3-aminophenoxy)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)acetamide
CID 61109669

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide (CID 61108147) is 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide is COCCN(C(=O)c1cccc(C)c1N)C(C)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide?
The InChIKey is XYAMLDYXOSUHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-4-6-14(15(11)17)16(19)18(9-10-20-3)12(2)13-7-8-13/h4-6,12-13H,7-10,17H2,1-3H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide?
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide is sourced from PubChem (CID 61108147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).