4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide

C23H28N4O4 — CID 11640434

IUPAC4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cccc(CCOc3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C23H28N4O4/c1-2-25-23(30)27-13-11-26(12-14-27)22(29)18-7-5-6-17(16-18)10-15-31-20-9-4-3-8-19(20)21(24)28/h3-9,16H,2,10-15H2,1H3,(H2,24,28)(H,25,30)
InChIKeyKKGRBIROIYSHBR-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.89
Rot. Bonds7

About 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide

4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 11640434) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide
PubChem CID11640434
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cccc(CCOc3ccccc3C(N)=O)c2)CC1
InChIInChI=1S/C23H28N4O4/c1-2-25-23(30)27-13-11-26(12-14-27)22(29)18-7-5-6-17(16-18)10-15-31-20-9-4-3-8-19(20)21(24)28/h3-9,16H,2,10-15H2,1H3,(H2,24,28)(H,25,30)
InChIKeyKKGRBIROIYSHBR-UHFFFAOYSA-N
XLogP1.89
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(4-cyclobutylsulfonylpiperazine-1-carbonyl)phenyl]ethoxy]benzamide
CID 11648494
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
5-bromo-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 26158208
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 17205909
2-[2-[4-fluoro-3-[4-(2-phenoxypropanoyl)piperazine-1-carbonyl]phenyl]ethoxy]benzamide
CID 25218494
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
2-butoxy-N-[[3-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26158696
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide (CID 11640434) is 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2cccc(CCOc3ccccc3C(N)=O)c2)CC1.
What is the InChIKey of 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is KKGRBIROIYSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-2-25-23(30)27-13-11-26(12-14-27)22(29)18-7-5-6-17(16-18)10-15-31-20-9-4-3-8-19(20)21(24)28/h3-9,16H,2,10-15H2,1H3,(H2,24,28)(H,25,30).
What are the key properties of 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide?
4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-carbamoylphenoxy)ethyl]benzoyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 11640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).