N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide

C16H22N2O — CID 62503279

IUPACN-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide
SMILESCCC(C#N)(CC)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-8-6-13(3)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyMPCSQASFNUCSCX-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds6

About N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide

N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide (PubChem CID 62503279) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide
PubChem CID62503279
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide
SMILESCCC(C#N)(CC)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H22N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-8-6-13(3)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyMPCSQASFNUCSCX-UHFFFAOYSA-N
XLogP3.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)propanamide
CID 64558137
1-(3-cyanopentan-3-yl)-3-(4-methylphenyl)urea
CID 61122433
N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 61119783
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-(2-cyanopropan-2-yl)-3-(3,4-dichlorophenyl)propanamide
CID 110614985
2-cyclopropyl-2-[3-(4-methylphenyl)propanoylamino]propanoic acid
CID 43360529
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide (CID 62503279) is N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide is CCC(C#N)(CC)NC(=O)CCc1ccc(C)cc1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is MPCSQASFNUCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-16(5-2,12-17)18-15(19)11-10-14-8-6-13(3)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide?
N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 258.36 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 62503279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).