3-(2-methylphenyl)-N-(2-methylpropyl)propanamide

C14H21NO — CID 63283832

IUPAC3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-15-14(16)9-8-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeyHDSFOHSCLRYHPB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.70
Rot. Bonds5

About 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide

3-(2-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 63283832) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID63283832
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)10-15-14(16)9-8-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,15,16)
InChIKeyHDSFOHSCLRYHPB-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
CID 103658237
N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
CID 114308227
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
N-(2-bromopentyl)-3-(2-methylphenyl)propanamide
CID 113496509
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide (CID 63283832) is 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide is Cc1ccccc1CCC(=O)NCC(C)C.
What is the InChIKey of 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is HDSFOHSCLRYHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-15-14(16)9-8-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide?
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 219.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 63283832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).