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

C15H21N3O2 — CID 106788145

IUPAC2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CN(C)CC(=O)NC(C)C)ccc1C#N
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-13(8-16)14(7-12)20-4/h5-7,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyFQZWDNCOHCUURM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds6

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

2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 106788145) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID106788145
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CN(C)CC(=O)NC(C)C)ccc1C#N
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-13(8-16)14(7-12)20-4/h5-7,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyFQZWDNCOHCUURM-UHFFFAOYSA-N
XLogP1.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 106792478
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65338614
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
(2R)-2-[(4-cyano-3-methoxyphenyl)methylamino]propanoic acid
CID 106792601
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
2-[(4-cyano-3-methoxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425994
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 106788145) is 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide is COc1cc(CN(C)CC(=O)NC(C)C)ccc1C#N.
What is the InChIKey of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is FQZWDNCOHCUURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)17-15(19)10-18(3)9-12-5-6-13(8-16)14(7-12)20-4/h5-7,11H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106788145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).