2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide

C15H21N3O2 — CID 65343735

IUPAC2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-4-7-18(11-15(19)17-2)10-12-5-6-14(20-3)13(8-12)9-16/h5-6,8H,4,7,10-11H2,1-3H3,(H,17,19)
InChIKeyXQUUIZJQUCVJAJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds7

About 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide

2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide (PubChem CID 65343735) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
PubChem CID65343735
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-4-7-18(11-15(19)17-2)10-12-5-6-14(20-3)13(8-12)9-16/h5-6,8H,4,7,10-11H2,1-3H3,(H,17,19)
InChIKeyXQUUIZJQUCVJAJ-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
2-[(3-cyano-4-methoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 79275467
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
2-[(4-cyano-3-methoxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425994
2-[(4-methoxy-3-nitrophenyl)methyl-propylamino]-N-propylacetamide
CID 87015074

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide (CID 65343735) is 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide?
The InChIKey is XQUUIZJQUCVJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-18(11-15(19)17-2)10-12-5-6-14(20-3)13(8-12)9-16/h5-6,8H,4,7,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide?
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 65343735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).