2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide

C15H21N3O2 — CID 107804570

IUPAC2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H21N3O2/c1-11-6-4-7-14(13(11)10-16)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,12,18H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyXIAWYOXVFFSGEM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.82
Rot. Bonds7

About 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide

2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 107804570) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
PubChem CID107804570
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Nc1cccc(C)c1C#N
InChIInChI=1S/C15H21N3O2/c1-11-6-4-7-14(13(11)10-16)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,12,18H,5,8-9H2,1-3H3,(H,17,19)
InChIKeyXIAWYOXVFFSGEM-UHFFFAOYSA-N
XLogP1.82
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-(2-cyano-3-methylanilino)propanamide
CID 107804289
2-(2-amino-3-methylanilino)-N-(2-methoxyethyl)propanamide
CID 114041348
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-fluoro-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 43122831
2-[2-(2-methoxyethoxy)ethylamino]-6-methylbenzonitrile
CID 114003061
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681
2-[(2,5-dimethylpyrrol-1-yl)amino]-N-(3-methoxypropyl)propanamide
CID 79099906
2-(2-methylanilino)-N-pentylpropanamide
CID 43113317
2-(4-bromo-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 107788878
2-(4-acetamidoanilino)-N-(3-methoxypropyl)propanamide
CID 43112708

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide (CID 107804570) is 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Nc1cccc(C)c1C#N.
What is the InChIKey of 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is XIAWYOXVFFSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-4-7-14(13(11)10-16)18-12(2)15(19)17-8-5-9-20-3/h4,6-7,12,18H,5,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide?
2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-methylanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107804570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).