4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide

C20H22ClNO3 — CID 27039880

IUPAC4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
SMILESCc1cccc(OCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClNO3/c1-15-4-2-5-18(14-15)25-13-3-12-22-20(24)11-10-19(23)16-6-8-17(21)9-7-16/h2,4-9,14H,3,10-13H2,1H3,(H,22,24)
InChIKeyDMVCVQUTTHKBNR-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.20
Rot. Bonds9

About 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide (PubChem CID 27039880) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
PubChem CID27039880
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide
SMILESCc1cccc(OCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H22ClNO3/c1-15-4-2-5-18(14-15)25-13-3-12-22-20(24)11-10-19(23)16-6-8-17(21)9-7-16/h2,4-9,14H,3,10-13H2,1H3,(H,22,24)
InChIKeyDMVCVQUTTHKBNR-UHFFFAOYSA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]-4-oxobutanamide
CID 9224216
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[3-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide (CID 27039880) is 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide is Cc1cccc(OCCCNC(=O)CCC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide?
The InChIKey is DMVCVQUTTHKBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-15-4-2-5-18(14-15)25-13-3-12-22-20(24)11-10-19(23)16-6-8-17(21)9-7-16/h2,4-9,14H,3,10-13H2,1H3,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide has a molecular weight of 359.85 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(3-methylphenoxy)propyl]-4-oxobutanamide is sourced from PubChem (CID 27039880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).