3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide

C19H22ClNO2 — CID 46679754

IUPAC3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-14-4-3-5-17(12-14)23-11-10-21-19(22)9-8-16-7-6-15(2)18(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyOTLQZBLVULTBHD-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.08
Rot. Bonds7

About 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 46679754) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID46679754
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C19H22ClNO2/c1-14-4-3-5-17(12-14)23-11-10-21-19(22)9-8-16-7-6-15(2)18(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyOTLQZBLVULTBHD-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 106816722
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
4-(3,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]-4-oxobutanamide
CID 9224216
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 113103062
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
CID 27039880
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 46679754) is 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)CCc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is OTLQZBLVULTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-4-3-5-17(12-14)23-11-10-21-19(22)9-8-16-7-6-15(2)18(20)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 46679754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).