3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide

C25H35N3O2 — CID 55624420

IUPAC3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CCOc3cccc(C)c3C)CC2)c1
InChIInChI=1S/C25H35N3O2/c1-20-7-4-9-23(19-20)28-16-14-27(15-17-28)13-6-12-26-25(29)11-18-30-24-10-5-8-21(2)22(24)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,29)
InChIKeyCQQKMPYVCGTMDF-UHFFFAOYSA-N
MW409.57 g/mol
LogP3.71
Rot. Bonds9

About 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide

3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide (PubChem CID 55624420) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
PubChem CID55624420
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide
SMILESCc1cccc(N2CCN(CCCNC(=O)CCOc3cccc(C)c3C)CC2)c1
InChIInChI=1S/C25H35N3O2/c1-20-7-4-9-23(19-20)28-16-14-27(15-17-28)13-6-12-26-25(29)11-18-30-24-10-5-8-21(2)22(24)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,29)
InChIKeyCQQKMPYVCGTMDF-UHFFFAOYSA-N
XLogP3.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
CID 55911151
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662298
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 55653220
3-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 39303958
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide (CID 55624420) is 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide is Cc1cccc(N2CCN(CCCNC(=O)CCOc3cccc(C)c3C)CC2)c1.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
The InChIKey is CQQKMPYVCGTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-20-7-4-9-23(19-20)28-16-14-27(15-17-28)13-6-12-26-25(29)11-18-30-24-10-5-8-21(2)22(24)3/h4-5,7-10,19H,6,11-18H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide?
3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide has a molecular weight of 409.57 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 55624420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).