4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide

C23H31N3O3 — CID 60542874

IUPAC4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCCCc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-3-29-22-9-5-4-8-21(22)25-15-17-26(18-16-25)23(27)24-14-6-7-19-10-12-20(28-2)13-11-19/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H,24,27)
InChIKeyNNEGCLYJWMDJFG-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.56
Rot. Bonds8

About 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide

4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide (PubChem CID 60542874) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
PubChem CID60542874
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1N1CCN(C(=O)NCCCc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H31N3O3/c1-3-29-22-9-5-4-8-21(22)25-15-17-26(18-16-25)23(27)24-14-6-7-19-10-12-20(28-2)13-11-19/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H,24,27)
InChIKeyNNEGCLYJWMDJFG-UHFFFAOYSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.56
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

N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
4-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 39722655
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6007464
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863
N-[(6-chloro-3-pyridinyl)methyl]-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 60543780
1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 40501303
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
4-(4-chloro-2-nitrophenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 55912843

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide (CID 60542874) is 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide is CCOc1ccccc1N1CCN(C(=O)NCCCc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is NNEGCLYJWMDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-3-29-22-9-5-4-8-21(22)25-15-17-26(18-16-25)23(27)24-14-6-7-19-10-12-20(28-2)13-11-19/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H,24,27).
What are the key properties of 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide?
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 60542874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).