N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide

C15H20N2O — CID 62537191

IUPACN-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
SMILESCCCN(CC#N)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H20N2O/c1-4-8-17(9-7-16)15(18)11-14-10-12(2)5-6-13(14)3/h5-6,10H,4,8-9,11H2,1-3H3
InChIKeyKUZJODUHUALQHA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds5

About N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide

N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide (PubChem CID 62537191) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
PubChem CID62537191
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
SMILESCCCN(CC#N)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H20N2O/c1-4-8-17(9-7-16)15(18)11-14-10-12(2)5-6-13(14)3/h5-6,10H,4,8-9,11H2,1-3H3
InChIKeyKUZJODUHUALQHA-UHFFFAOYSA-N
XLogP2.61
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80741251
N,N-bis(cyanomethyl)-3-(2,4-dimethylphenyl)propanamide
CID 52832632
N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62539671
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
3-chloro-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 63195064
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62539504
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
CID 61224307
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide (CID 62537191) is N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide is CCCN(CC#N)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide?
The InChIKey is KUZJODUHUALQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-8-17(9-7-16)15(18)11-14-10-12(2)5-6-13(14)3/h5-6,10H,4,8-9,11H2,1-3H3.
What are the key properties of N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide?
N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide is sourced from PubChem (CID 62537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).