ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate

C24H33N3O4 — CID 12838126

IUPACethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCCCN2CCN(c3cccc(C)c3)CC2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-4-30-24(28)25-20-9-10-22(23(18-20)29-3)31-16-6-11-26-12-14-27(15-13-26)21-8-5-7-19(2)17-21/h5,7-10,17-18H,4,6,11-16H2,1-3H3,(H,25,28)
InChIKeyMUIZHYXUEXKNEP-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.16
Rot. Bonds9

About ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate

ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate (PubChem CID 12838126) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
PubChem CID12838126
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nameethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCCCN2CCN(c3cccc(C)c3)CC2)c(OC)c1
InChIInChI=1S/C24H33N3O4/c1-4-30-24(28)25-20-9-10-22(23(18-20)29-3)31-16-6-11-26-12-14-27(15-13-26)21-8-5-7-19(2)17-21/h5,7-10,17-18H,4,6,11-16H2,1-3H3,(H,25,28)
InChIKeyMUIZHYXUEXKNEP-UHFFFAOYSA-N
XLogP4.16
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]carbamate
CID 12838128
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
2-methoxy-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 55662172
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
N-(3,4-dimethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 51281768
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
2-(3,4-dimethoxyanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004058
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
1-(2-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062287
1-(3-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062285
CID 71043377
CID 71043377

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate (CID 12838126) is ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate is CCOC(=O)Nc1ccc(OCCCN2CCN(c3cccc(C)c3)CC2)c(OC)c1.
What is the InChIKey of ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate?
The InChIKey is MUIZHYXUEXKNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-4-30-24(28)25-20-9-10-22(23(18-20)29-3)31-16-6-11-26-12-14-27(15-13-26)21-8-5-7-19(2)17-21/h5,7-10,17-18H,4,6,11-16H2,1-3H3,(H,25,28).
What are the key properties of ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate?
ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate has a molecular weight of 427.55 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate is sourced from PubChem (CID 12838126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).