N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

C15H20N2O — CID 62539504

IUPACN-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(3)14(7-11)8-15(18)17(4)10-12(2)9-16/h5-7,12H,8,10H2,1-4H3
InChIKeyCZFQOGOOCPXTNS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds4

About N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide

N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (PubChem CID 62539504) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
PubChem CID62539504
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(C)c(CC(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-13(3)14(7-11)8-15(18)17(4)10-12(2)9-16/h5-7,12H,8,10H2,1-4H3
InChIKeyCZFQOGOOCPXTNS-UHFFFAOYSA-N
XLogP2.46
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 80666132
2-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 62539688
2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
CID 81318252
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 47402323
2-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704730
2-(2,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844756
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(cyanomethyl)-2-(2,5-dimethylphenyl)-N-propylacetamide
CID 62537191

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide (CID 62539504) is N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is Cc1ccc(C)c(CC(=O)N(C)CC(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
The InChIKey is CZFQOGOOCPXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-6-13(3)14(7-11)8-15(18)17(4)10-12(2)9-16/h5-7,12H,8,10H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide?
N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-(2,5-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).