3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide

C15H21N3O2 — CID 66431284

IUPAC3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
SMILESCCN(CC)C(=O)CC(C#N)Nc1cccc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-4-18(5-2)15(19)10-13(11-16)17-12-7-6-8-14(9-12)20-3/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeySSFMGWZFSQYSPF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.26
Rot. Bonds7

About 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide

3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide (PubChem CID 66431284) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
PubChem CID66431284
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide
SMILESCCN(CC)C(=O)CC(C#N)Nc1cccc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-4-18(5-2)15(19)10-13(11-16)17-12-7-6-8-14(9-12)20-3/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeySSFMGWZFSQYSPF-UHFFFAOYSA-N
XLogP2.26
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromoanilino)-3-cyano-N,N-diethylpropanamide
CID 66431283
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
tert-butyl N-[3-cyano-3-(3-methoxyanilino)propyl]carbamate
CID 102730605
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
3-anilino-3-cyano-N,N-dimethylpropanamide
CID 66431052
ethyl 3-anilino-3-cyanopropanoate
CID 66432357
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-(3-methoxyanilino)-N',N'-dimethylbutanediamide
CID 66430043
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide?
The IUPAC name of 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide (CID 66431284) is 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide?
The canonical SMILES for 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide is CCN(CC)C(=O)CC(C#N)Nc1cccc(OC)c1.
What is the InChIKey of 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide?
The InChIKey is SSFMGWZFSQYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(5-2)15(19)10-13(11-16)17-12-7-6-8-14(9-12)20-3/h6-9,13,17H,4-5,10H2,1-3H3.
What are the key properties of 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide?
3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-diethyl-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 66431284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).