3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide

C29H35N3O4 — CID 42297313

IUPAC3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C29H35N3O4/c1-3-31-16-18-32(19-17-31)25-13-11-24(12-14-25)30-29(33)23-10-15-27(28(22-23)34-4-2)36-21-20-35-26-8-6-5-7-9-26/h5-15,22H,3-4,16-21H2,1-2H3,(H,30,33)
InChIKeyRDNLKDGXDSLYBF-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.94
Rot. Bonds11

About 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide

3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide (PubChem CID 42297313) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
PubChem CID42297313
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC Name3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C29H35N3O4/c1-3-31-16-18-32(19-17-31)25-13-11-24(12-14-25)30-29(33)23-10-15-27(28(22-23)34-4-2)36-21-20-35-26-8-6-5-7-9-26/h5-15,22H,3-4,16-21H2,1-2H3,(H,30,33)
InChIKeyRDNLKDGXDSLYBF-UHFFFAOYSA-N
XLogP4.94
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,4-diethoxybenzamide
CID 42313246
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
CID 60599177
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 16625247
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide
CID 30689941
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 16624472
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide (CID 42297313) is 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide is CCOc1cc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)ccc1OCCOc1ccccc1.
What is the InChIKey of 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide?
The InChIKey is RDNLKDGXDSLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-3-31-16-18-32(19-17-31)25-13-11-24(12-14-25)30-29(33)23-10-15-27(28(22-23)34-4-2)36-21-20-35-26-8-6-5-7-9-26/h5-15,22H,3-4,16-21H2,1-2H3,(H,30,33).
What are the key properties of 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide?
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide has a molecular weight of 489.62 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 42297313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).