2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide

C15H23NO2 — CID 110782084

IUPAC2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)C)ccc1OC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)15(17)16-9-13-6-7-14(12(5)8-13)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,16,17)
InChIKeySZHOKTVQCIMTKW-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.05
Rot. Bonds5

About 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide

2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 110782084) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID110782084
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)C)ccc1OC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)15(17)16-9-13-6-7-14(12(5)8-13)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,16,17)
InChIKeySZHOKTVQCIMTKW-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide (CID 110782084) is 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide is Cc1cc(CNC(=O)C(C)C)ccc1OC(C)C.
What is the InChIKey of 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is SZHOKTVQCIMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)15(17)16-9-13-6-7-14(12(5)8-13)18-11(3)4/h6-8,10-11H,9H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide?
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 110782084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).