N-methyl-4-(2-methylphenyl)butanamide

C12H17NO — CID 67667120

IUPACN-methyl-4-(2-methylphenyl)butanamide
SMILESCNC(=O)CCCc1ccccc1C
InChIInChI=1S/C12H17NO/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyBRBGMYREKRIHQN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-4-(2-methylphenyl)butanamide

N-methyl-4-(2-methylphenyl)butanamide (PubChem CID 67667120) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)butanamide
PubChem CID67667120
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-4-(2-methylphenyl)butanamide
SMILESCNC(=O)CCCc1ccccc1C
InChIInChI=1S/C12H17NO/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14)
InChIKeyBRBGMYREKRIHQN-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
4-(2-methylphenyl)butanamide
CID 22103596
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110607579
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)butanamide?
The IUPAC name of N-methyl-4-(2-methylphenyl)butanamide (CID 67667120) is N-methyl-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-methyl-4-(2-methylphenyl)butanamide is CNC(=O)CCCc1ccccc1C.
What is the InChIKey of N-methyl-4-(2-methylphenyl)butanamide?
The InChIKey is BRBGMYREKRIHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-6-3-4-7-11(10)8-5-9-12(14)13-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-4-(2-methylphenyl)butanamide?
N-methyl-4-(2-methylphenyl)butanamide has a molecular weight of 191.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 67667120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).