3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide

C14H21NO2 — CID 82726212

IUPAC3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCc1cccc(CCC(=O)NOC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-11-6-5-7-12(10-11)8-9-13(16)15-17-14(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeySHIDWMTWPVDSHM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.77
Rot. Bonds4

About 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide

3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 82726212) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID82726212
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCc1cccc(CCC(=O)NOC(C)(C)C)c1
InChIInChI=1S/C14H21NO2/c1-11-6-5-7-12(10-11)8-9-13(16)15-17-14(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeySHIDWMTWPVDSHM-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(3-methylphenyl)propanamide
CID 76941527
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-(3-methylphenyl)propanamide
CID 62366573
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
CID 62521751
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
ethyl 4-[3-(3-methylphenyl)propanoylamino]butanoate
CID 60700311
N-(4-bromo-2,2-dimethylbutyl)-3-(3-methylphenyl)propanamide
CID 114149455
tert-butyl N-[4-methoxy-2-[3-(3-methylphenyl)propanoylamino]phenyl]carbamate
CID 60556997
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 82726212) is 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide is Cc1cccc(CCC(=O)NOC(C)(C)C)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is SHIDWMTWPVDSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-6-5-7-12(10-11)8-9-13(16)15-17-14(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,15,16).
What are the key properties of 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide?
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 82726212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).