2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide

C13H17N3O2 — CID 37426429

IUPAC2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC#N)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H17N3O2/c1-3-16(9-8-14)10-13(17)15-11-4-6-12(18-2)7-5-11/h4-7H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyYHLVWEAAZRXRAG-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.48
Rot. Bonds6

About 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide

2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 37426429) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID37426429
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC#N)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C13H17N3O2/c1-3-16(9-8-14)10-13(17)15-11-4-6-12(18-2)7-5-11/h4-7H,3,9-10H2,1-2H3,(H,15,17)
InChIKeyYHLVWEAAZRXRAG-UHFFFAOYSA-N
XLogP1.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 18171130
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
1,1-bis(cyanomethyl)-3-(4-methoxyphenyl)urea
CID 51050088
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
N-(4-bromophenyl)-2-[cyanomethyl(propyl)amino]acetamide
CID 60563519
methyl 3-[[2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24565982
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide (CID 37426429) is 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide is CCN(CC#N)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YHLVWEAAZRXRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16(9-8-14)10-13(17)15-11-4-6-12(18-2)7-5-11/h4-7H,3,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 37426429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).