N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide

C19H19N3O3 — CID 113064327

IUPACN-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-14(23)22(16-9-7-15(13-20)8-10-16)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyNZZVLKANJPSXDS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide

N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide (PubChem CID 113064327) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
PubChem CID113064327
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-14(23)22(16-9-7-15(13-20)8-10-16)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyNZZVLKANJPSXDS-UHFFFAOYSA-N
XLogP2.35
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-bromobenzamide
CID 113064324
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 113064337
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
3-(N-acetyl-4-cyanoanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113135055
N-[2-(N-acetylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113057179
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide (CID 113064327) is N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide?
The InChIKey is NZZVLKANJPSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(23)22(16-9-7-15(13-20)8-10-16)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide?
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113064327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).