N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide

C15H17N3O2 — CID 51185583

IUPACN,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-6-2-5-13(11-14)12-15(19)18(9-3-7-16)10-4-8-17/h2,5-6,11H,3-4,9-10,12H2,1H3
InChIKeyZBEFQTVEEPJWCL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.89
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide

N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 51185583) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
PubChem CID51185583
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)N(CCC#N)CCC#N)c1
InChIInChI=1S/C15H17N3O2/c1-20-14-6-2-5-13(11-14)12-15(19)18(9-3-7-16)10-4-8-17/h2,5-6,11H,3-4,9-10,12H2,1H3
InChIKeyZBEFQTVEEPJWCL-UHFFFAOYSA-N
XLogP1.89
TPSA77.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-3-methoxybenzene
CID 47164741
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
3-[N-[2-(3-methoxyphenyl)ethyl]anilino]propanenitrile
CID 20552649

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide (CID 51185583) is N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)N(CCC#N)CCC#N)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZBEFQTVEEPJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-6-2-5-13(11-14)12-15(19)18(9-3-7-16)10-4-8-17/h2,5-6,11H,3-4,9-10,12H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide?
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 51185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).