2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide

C12H15N3O2 — CID 54878508

IUPAC2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(N)c(C(=O)N(C)CCC#N)c1
InChIInChI=1S/C12H15N3O2/c1-15(7-3-6-13)12(16)10-8-9(17-2)4-5-11(10)14/h4-5,8H,3,7,14H2,1-2H3
InChIKeyWOYKAEVXWWYBNO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide

2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide (PubChem CID 54878508) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
PubChem CID54878508
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(N)c(C(=O)N(C)CCC#N)c1
InChIInChI=1S/C12H15N3O2/c1-15(7-3-6-13)12(16)10-8-9(17-2)4-5-11(10)14/h4-5,8H,3,7,14H2,1-2H3
InChIKeyWOYKAEVXWWYBNO-UHFFFAOYSA-N
XLogP1.26
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
2-amino-5-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913718
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
2-amino-5-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60955120
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 60609840
N-(2-cyanoethyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783369
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide (CID 54878508) is 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide is COc1ccc(N)c(C(=O)N(C)CCC#N)c1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide?
The InChIKey is WOYKAEVXWWYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(7-3-6-13)12(16)10-8-9(17-2)4-5-11(10)14/h4-5,8H,3,7,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide?
2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 54878508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).