2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide

C14H19N3O — CID 8912475

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(8-15)5-7-13/h4-7,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyQSYOJUCDZSQGOB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.51
Rot. Bonds5

About 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 8912475) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID8912475
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(8-15)5-7-13/h4-7,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyQSYOJUCDZSQGOB-UHFFFAOYSA-N
XLogP1.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 102665414
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
4-cyano-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475425
2-[(4-cyanophenyl)methyl-methylamino]-N-[1-(2-ethoxyphenyl)propyl]acetamide
CID 87016444
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304
2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
2-[(3-fluoro-4-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 107694011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide (CID 8912475) is 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is QSYOJUCDZSQGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)16-14(18)10-17(3)9-13-6-4-12(8-15)5-7-13/h4-7,11H,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8912475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).