1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide

C15H20N2O — CID 115172771

IUPAC1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
SMILESCCCc1ccc(C(C)(C)CNC(=O)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-12-6-8-13(9-7-12)15(2,3)11-17-14(18)10-16/h6-9H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyYZBYAEMLKCTGSN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.56
Rot. Bonds5

About 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide

1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide (PubChem CID 115172771) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
PubChem CID115172771
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide
SMILESCCCc1ccc(C(C)(C)CNC(=O)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-12-6-8-13(9-7-12)15(2,3)11-17-14(18)10-16/h6-9H,4-5,11H2,1-3H3,(H,17,18)
InChIKeyYZBYAEMLKCTGSN-UHFFFAOYSA-N
XLogP2.56
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217
1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]formamide
CID 115172769
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
1-cyano-N-[2-(3-methoxyphenyl)-2-methylpropyl]formamide
CID 115172833
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
1-[2-(4-ethylphenyl)-2-methylpropyl]-3-(3-hydroxypropyl)urea
CID 111861314
N-[2-(4-ethylphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119802083
3-[4-(2-hydroxyethyl)phenyl]-3-methylbutanoic acid
CID 115112927
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide?
The IUPAC name of 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide (CID 115172771) is 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide?
The canonical SMILES for 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide is CCCc1ccc(C(C)(C)CNC(=O)C#N)cc1.
What is the InChIKey of 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide?
The InChIKey is YZBYAEMLKCTGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-12-6-8-13(9-7-12)15(2,3)11-17-14(18)10-16/h6-9H,4-5,11H2,1-3H3,(H,17,18).
What are the key properties of 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide?
1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide has a molecular weight of 244.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-methyl-2-(4-propylphenyl)propyl]formamide is sourced from PubChem (CID 115172771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).