N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide

C24H28N4O — CID 86869610

IUPACN-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(CCC#N)C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c1C
InChIInChI=1S/C24H28N4O/c1-18(2)27(16-22-11-9-21(15-26)10-12-22)17-24(29)28(14-6-13-25)23-8-5-7-19(3)20(23)4/h5,7-12,18H,6,14,16-17H2,1-4H3
InChIKeyXLAWLKFKEVDCHZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.33
Rot. Bonds8

About N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide

N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 86869610) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID86869610
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(N(CCC#N)C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c1C
InChIInChI=1S/C24H28N4O/c1-18(2)27(16-22-11-9-21(15-26)10-12-22)17-24(29)28(14-6-13-25)23-8-5-7-19(3)20(23)4/h5,7-12,18H,6,14,16-17H2,1-4H3
InChIKeyXLAWLKFKEVDCHZ-UHFFFAOYSA-N
XLogP4.33
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 87012590
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 87013821
N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 86978990
2-[4-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 87013547
tert-butyl 2-[(4-cyanophenyl)methyl-propan-2-ylamino]acetate
CID 86866922
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
N-[(4-cyanophenyl)methyl]-N,2,3-trimethylbenzamide
CID 39858837
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112840505
1-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 87013528
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 87014450
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide (CID 86869610) is N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(N(CCC#N)C(=O)CN(Cc2ccc(C#N)cc2)C(C)C)c1C.
What is the InChIKey of N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is XLAWLKFKEVDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18(2)27(16-22-11-9-21(15-26)10-12-22)17-24(29)28(14-6-13-25)23-8-5-7-19(3)20(23)4/h5,7-12,18H,6,14,16-17H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide?
N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 86869610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).