3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide

C12H16ClNO2 — CID 55027623

IUPAC3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9-4-5-10(8-11(9)13)6-7-12(15)14(2)16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyABHQLRAIXRHVDL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.60
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide

3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide (PubChem CID 55027623) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
PubChem CID55027623
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-9-4-5-10(8-11(9)13)6-7-12(15)14(2)16-3/h4-5,8H,6-7H2,1-3H3
InChIKeyABHQLRAIXRHVDL-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)-N-methoxy-N-methylpropanamide
CID 86728179
methyl 2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]acetate
CID 43409176
2-[3-(3-chloro-4-methylphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818850
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519
3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512552
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
CID 177417745
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-methoxy-3-[4-(methoxymethoxy)-3-[2-methoxy-4-[3-[methoxy(methyl)amino]-3-oxopropyl]phenoxy]phenyl]-N-methylpropanamide
CID 11752201
methyl 2-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]acetate
CID 60713044
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide (CID 55027623) is 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide?
The InChIKey is ABHQLRAIXRHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9-4-5-10(8-11(9)13)6-7-12(15)14(2)16-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide?
3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 55027623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).