3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide

C14H19N3O2 — CID 65341239

IUPAC3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNCCC(=O)N(C)C)cc1C#N
InChIInChI=1S/C14H19N3O2/c1-17(2)14(18)6-7-16-10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8,16H,6-7,10H2,1-3H3
InChIKeyOKDUEQIHSYOCIL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds6

About 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide

3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 65341239) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
PubChem CID65341239
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(CNCCC(=O)N(C)C)cc1C#N
InChIInChI=1S/C14H19N3O2/c1-17(2)14(18)6-7-16-10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8,16H,6-7,10H2,1-3H3
InChIKeyOKDUEQIHSYOCIL-UHFFFAOYSA-N
XLogP1.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
5-[(4-hydroxybutylamino)methyl]-2-methoxybenzonitrile
CID 106840557
5-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 107230018
2-methoxy-5-[(pent-4-ynylamino)methyl]benzonitrile
CID 103701664
2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
CID 65336445
5-[(4-hydroxypentylamino)methyl]-2-methoxybenzonitrile
CID 107267897
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115651742
ethyl 4-[(4-cyano-3-methoxyphenyl)methylamino]butanoate
CID 106787556
2-methoxy-5-[(4-methylsulfanylbutylamino)methyl]benzonitrile
CID 113243220
2-methoxy-5-[(3-phenylpropylamino)methyl]benzonitrile
CID 65336201
5-[(2-bromoprop-2-enylamino)methyl]-2-methoxybenzonitrile
CID 115653368

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide (CID 65341239) is 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide is COc1ccc(CNCCC(=O)N(C)C)cc1C#N.
What is the InChIKey of 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is OKDUEQIHSYOCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)14(18)6-7-16-10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8,16H,6-7,10H2,1-3H3.
What are the key properties of 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide?
3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 65341239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).