2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

C32H40N4O5 — CID 10347794

IUPAC2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(NC(=O)CCCc3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C32H40N4O5/c1-3-40-30-12-5-4-11-29(30)34-32(38)41-23-22-35-18-20-36(21-19-35)27-10-7-9-26(24-27)33-31(37)13-6-8-25-14-16-28(39-2)17-15-25/h4-5,7,9-12,14-17,24H,3,6,8,13,18-23H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyMVWIJXLIBNUYCP-UHFFFAOYSA-N
MW560.70 g/mol
LogP5.43
Rot. Bonds13

About 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate

2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (PubChem CID 10347794) has the molecular formula C32H40N4O5 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
PubChem CID10347794
Molecular FormulaC32H40N4O5
Molecular Weight560.70 g/mol
Exact Mass560.30
IUPAC Name2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(NC(=O)CCCc3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C32H40N4O5/c1-3-40-30-12-5-4-11-29(30)34-32(38)41-23-22-35-18-20-36(21-19-35)27-10-7-9-26(24-27)33-31(37)13-6-8-25-14-16-28(39-2)17-15-25/h4-5,7,9-12,14-17,24H,3,6,8,13,18-23H2,1-2H3,(H,33,37)(H,34,38)
InChIKeyMVWIJXLIBNUYCP-UHFFFAOYSA-N
XLogP5.43
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(hexanoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10073988
2-[4-[3-[3-(diethylamino)propanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10481487
2-[4-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10099893
2-[4-[3-(pyridine-3-carbonylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10345437
2-[4-[3-(thiophen-2-ylmethylcarbamoylamino)phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate
CID 10369509
3-[4-(3-methylphenyl)piperazin-1-yl]propyl N-(2-methoxyphenyl)carbamate
CID 58904664
3-[4-(4-fluorophenyl)piperazin-1-yl]propyl N-(2-ethoxyphenyl)carbamate
CID 58904617
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
3-(4-phenylpiperazin-1-yl)propyl N-(2-methoxyphenyl)carbamate
CID 58904598
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate (CID 10347794) is 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is CCOc1ccccc1NC(=O)OCCN1CCN(c2cccc(NC(=O)CCCc3ccc(OC)cc3)c2)CC1.
What is the InChIKey of 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is MVWIJXLIBNUYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5/c1-3-40-30-12-5-4-11-29(30)34-32(38)41-23-22-35-18-20-36(21-19-35)27-10-7-9-26(24-27)33-31(37)13-6-8-25-14-16-28(39-2)17-15-25/h4-5,7,9-12,14-17,24H,3,6,8,13,18-23H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate?
2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 560.70 g/mol, XLogP of 5.43, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(4-methoxyphenyl)butanoylamino]phenyl]piperazin-1-yl]ethyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 10347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).