2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide

C15H21N3O2 — CID 65344306

IUPAC2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-4-7-17-15(19)11-18(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)
InChIKeyZDSIEFRFFBQMHJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds7

About 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide

2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide (PubChem CID 65344306) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
PubChem CID65344306
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H21N3O2/c1-4-7-17-15(19)11-18(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)
InChIKeyZDSIEFRFFBQMHJ-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

2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 60670069
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 60589402
2-[(2-cyano-4-pyridinyl)methyl-methylamino]-N-propylacetamide
CID 63886350
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 106792478
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345
2-[(3-fluoro-4-methoxyphenyl)methyl-propylamino]-N-propylacetamide
CID 87015047
2-[[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8805837

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide (CID 65344306) is 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide?
The InChIKey is ZDSIEFRFFBQMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-17-15(19)11-18(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-methylamino]-N-propylacetamide?
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide 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-methylamino]-N-propylacetamide is sourced from PubChem (CID 65344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).