N-(4-butyl-2-methylphenyl)-2-methylpropanamide

C15H23NO — CID 86731579

IUPACN-(4-butyl-2-methylphenyl)-2-methylpropanamide
SMILESCCCCc1ccc(NC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-5-6-7-13-8-9-14(12(4)10-13)16-15(17)11(2)3/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyMHHNHKPKYSVKPB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.93
Rot. Bonds5

About N-(4-butyl-2-methylphenyl)-2-methylpropanamide

N-(4-butyl-2-methylphenyl)-2-methylpropanamide (PubChem CID 86731579) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(4-butyl-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-butyl-2-methylphenyl)-2-methylpropanamide
PubChem CID86731579
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(4-butyl-2-methylphenyl)-2-methylpropanamide
SMILESCCCCc1ccc(NC(=O)C(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-5-6-7-13-8-9-14(12(4)10-13)16-15(17)11(2)3/h8-11H,5-7H2,1-4H3,(H,16,17)
InChIKeyMHHNHKPKYSVKPB-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butyl-2-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168606487
methyl 2-[(4-butyl-2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3745244
N-(4-butyl-2-methylphenyl)morpholine-4-carboxamide
CID 23881732
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
1-[1-(4-bromophenyl)ethyl]-3-(4-butyl-2-methylphenyl)thiourea
CID 3843357
1-(4-butyl-2-methylphenyl)-3-[(2,4-dichlorophenyl)methyl]thiourea
CID 3683880
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190
N-(4-butyl-2-nitrophenyl)-2-chloropropanamide
CID 11580076
methyl 6-[(4-butyl-2-methylphenyl)carbamothioylamino]hexanoate
CID 3761063
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-butyl-2-methylphenyl)-2-methylpropanamide (CID 86731579) is N-(4-butyl-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-butyl-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-butyl-2-methylphenyl)-2-methylpropanamide is CCCCc1ccc(NC(=O)C(C)C)c(C)c1.
What is the InChIKey of N-(4-butyl-2-methylphenyl)-2-methylpropanamide?
The InChIKey is MHHNHKPKYSVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-6-7-13-8-9-14(12(4)10-13)16-15(17)11(2)3/h8-11H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-(4-butyl-2-methylphenyl)-2-methylpropanamide?
N-(4-butyl-2-methylphenyl)-2-methylpropanamide has a molecular weight of 233.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 86731579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).