3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide

C14H18N2O2 — CID 115173483

IUPAC3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC#N)cc1C(C)C
InChIInChI=1S/C14H18N2O2/c1-10(2)12-9-11(6-7-13(12)18-3)16-14(17)5-4-8-15/h6-7,9-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyGYKJXLYKRFSDDC-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.06
Rot. Bonds5

About 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide

3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide (PubChem CID 115173483) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
PubChem CID115173483
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCC#N)cc1C(C)C
InChIInChI=1S/C14H18N2O2/c1-10(2)12-9-11(6-7-13(12)18-3)16-14(17)5-4-8-15/h6-7,9-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyGYKJXLYKRFSDDC-UHFFFAOYSA-N
XLogP3.06
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
N-(3-tert-butyl-4-methoxyphenyl)-3-cyanopropanamide
CID 115173478
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
methyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115142148
2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
CID 166414805
ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115141811
methyl 4-(3-cyanopropanoylamino)benzoate
CID 94261035
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
4-(4-methoxy-3-propan-2-ylanilino)butanoic acid
CID 115218421
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide (CID 115173483) is 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide is COc1ccc(NC(=O)CCC#N)cc1C(C)C.
What is the InChIKey of 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide?
The InChIKey is GYKJXLYKRFSDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)12-9-11(6-7-13(12)18-3)16-14(17)5-4-8-15/h6-7,9-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide?
3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide has a molecular weight of 246.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 115173483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).