3-methoxy-N-[(3-methylphenyl)methyl]propanamide

C12H17NO2 — CID 71248457

IUPAC3-methoxy-N-[(3-methylphenyl)methyl]propanamide
SMILESCOCCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-10-4-3-5-11(8-10)9-13-12(14)6-7-15-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyYYTWBXNSVKTXMZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.65
Rot. Bonds5

About 3-methoxy-N-[(3-methylphenyl)methyl]propanamide

3-methoxy-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 71248457) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-methoxy-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(3-methylphenyl)methyl]propanamide
PubChem CID71248457
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-N-[(3-methylphenyl)methyl]propanamide
SMILESCOCCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-10-4-3-5-11(8-10)9-13-12(14)6-7-15-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14)
InChIKeyYYTWBXNSVKTXMZ-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
CID 108894571
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019458
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-methoxy-N-[(3-methylphenyl)methyl]propanamide (CID 71248457) is 3-methoxy-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(3-methylphenyl)methyl]propanamide is COCCC(=O)NCc1cccc(C)c1.
What is the InChIKey of 3-methoxy-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is YYTWBXNSVKTXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-4-3-5-11(8-10)9-13-12(14)6-7-15-2/h3-5,8H,6-7,9H2,1-2H3,(H,13,14).
What are the key properties of 3-methoxy-N-[(3-methylphenyl)methyl]propanamide?
3-methoxy-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 207.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 71248457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).