N,N,2-trimethyl-4-(2-methylphenyl)butanamide

C14H21NO — CID 155475611

IUPACN,N,2-trimethyl-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCC(C)C(=O)N(C)C
InChIInChI=1S/C14H21NO/c1-11-7-5-6-8-13(11)10-9-12(2)14(16)15(3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyDBBGNYJBPPGOIO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.65
Rot. Bonds4

About N,N,2-trimethyl-4-(2-methylphenyl)butanamide

N,N,2-trimethyl-4-(2-methylphenyl)butanamide (PubChem CID 155475611) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(2-methylphenyl)butanamide
PubChem CID155475611
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N,2-trimethyl-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCC(C)C(=O)N(C)C
InChIInChI=1S/C14H21NO/c1-11-7-5-6-8-13(11)10-9-12(2)14(16)15(3)4/h5-8,12H,9-10H2,1-4H3
InChIKeyDBBGNYJBPPGOIO-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-(2-methylphenyl)heptan-3-one
CID 107891244
2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
CID 62081363
2-methyl-4-[2-(2-methylphenyl)ethylamino]butanoic acid
CID 115220894
N-(1-bromopropan-2-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 104555951
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-(2-methylphenyl)butanamide?
The IUPAC name of N,N,2-trimethyl-4-(2-methylphenyl)butanamide (CID 155475611) is N,N,2-trimethyl-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N,N,2-trimethyl-4-(2-methylphenyl)butanamide?
The canonical SMILES for N,N,2-trimethyl-4-(2-methylphenyl)butanamide is Cc1ccccc1CCC(C)C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-4-(2-methylphenyl)butanamide?
The InChIKey is DBBGNYJBPPGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-5-6-8-13(11)10-9-12(2)14(16)15(3)4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of N,N,2-trimethyl-4-(2-methylphenyl)butanamide?
N,N,2-trimethyl-4-(2-methylphenyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 155475611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).