2-(4-cyanophenyl)-N,N-diethylpropanamide

C14H18N2O — CID 102182034

IUPAC2-(4-cyanophenyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)14(17)11(3)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3
InChIKeyMSBXVNURQSRQDO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-cyanophenyl)-N,N-diethylpropanamide

2-(4-cyanophenyl)-N,N-diethylpropanamide (PubChem CID 102182034) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N,N-diethylpropanamide
PubChem CID102182034
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-cyanophenyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-4-16(5-2)14(17)11(3)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3
InChIKeyMSBXVNURQSRQDO-UHFFFAOYSA-N
XLogP2.53
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 4438911
N,N-diethyl-2,2-diphenylacetamide
CID 229107
1-Methyl-5-phenyl-piperidin-2-one
CID 12012176
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
CID 1900319
N-butyl-2-(4-methylphenyl)acetamide
CID 1825321
2-Methyl-1-(4-methylbenzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
CID 2763790
2-phenyl-N,N-di(propan-2-yl)butanamide
CID 3747942
2-(4-Methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 888974
4-(3,5-Dimethylpiperidine-1-carbonyl)benzonitrile
CID 4230056

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-cyanophenyl)-N,N-diethylpropanamide (CID 102182034) is 2-(4-cyanophenyl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-cyanophenyl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N,N-diethylpropanamide?
The InChIKey is MSBXVNURQSRQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-16(5-2)14(17)11(3)13-8-6-12(10-15)7-9-13/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2-(4-cyanophenyl)-N,N-diethylpropanamide?
2-(4-cyanophenyl)-N,N-diethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N,N-diethylpropanamide is sourced from PubChem (CID 102182034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).