N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C16H23N3O — CID 18124296

IUPACN-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NCCC#N)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)15-7-5-14(6-8-15)11-19(3)12-16(20)18-10-4-9-17/h5-8,13H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyHMHHSWYMBDZPPV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds7

About N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 18124296) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID18124296
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)NCCC#N)cc1
InChIInChI=1S/C16H23N3O/c1-13(2)15-7-5-14(6-8-15)11-19(3)12-16(20)18-10-4-9-17/h5-8,13H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyHMHHSWYMBDZPPV-UHFFFAOYSA-N
XLogP2.27
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546
N-(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 18124279
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
N-(2-cyanoethyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62333195
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
3-cyano-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 94688472
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028532
N-(tert-butylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028162

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 18124296) is N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(C)c1ccc(CN(C)CC(=O)NCCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is HMHHSWYMBDZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)15-7-5-14(6-8-15)11-19(3)12-16(20)18-10-4-9-17/h5-8,13H,4,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 18124296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).