N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide

C17H17N3O2 — CID 17397309

IUPACN-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-12(19-15-8-3-4-9-16(15)22-2)17(21)20-14-7-5-6-13(10-14)11-18/h3-10,12,19H,1-2H3,(H,20,21)
InChIKeySUBNZEYOQDFLQE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds5

About N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide

N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide (PubChem CID 17397309) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
PubChem CID17397309
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
SMILESCOc1ccccc1NC(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H17N3O2/c1-12(19-15-8-3-4-9-16(15)22-2)17(21)20-14-7-5-6-13(10-14)11-18/h3-10,12,19H,1-2H3,(H,20,21)
InChIKeySUBNZEYOQDFLQE-UHFFFAOYSA-N
XLogP3.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
(2R)-N-(3-cyanophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7857471
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
1-(5-chloro-2-methoxyphenyl)-3-(3-cyanophenyl)urea
CID 108991974
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
(2R)-2-(3-chloro-4-methylanilino)-N-(3-cyanophenyl)propanamide
CID 7509535

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide (CID 17397309) is N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide is COc1ccccc1NC(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide?
The InChIKey is SUBNZEYOQDFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(19-15-8-3-4-9-16(15)22-2)17(21)20-14-7-5-6-13(10-14)11-18/h3-10,12,19H,1-2H3,(H,20,21).
What are the key properties of N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide?
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 17397309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).