3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide

C19H30ClN3O3 — CID 55662367

IUPAC3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCN(CC)CC2)cc1OC
InChIInChI=1S/C19H30ClN3O3/c1-4-22-9-11-23(12-10-22)8-6-7-21-19(24)15-13-16(20)18(26-5-2)17(14-15)25-3/h13-14H,4-12H2,1-3H3,(H,21,24)
InChIKeyCZXOCNRQIASHDC-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.50
Rot. Bonds9

About 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide

3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide (PubChem CID 55662367) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
PubChem CID55662367
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCN(CC)CC2)cc1OC
InChIInChI=1S/C19H30ClN3O3/c1-4-22-9-11-23(12-10-22)8-6-7-21-19(24)15-13-16(20)18(26-5-2)17(14-15)25-3/h13-14H,4-12H2,1-3H3,(H,21,24)
InChIKeyCZXOCNRQIASHDC-UHFFFAOYSA-N
XLogP2.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3-bromo-4-ethoxy-5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33133847
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide (CID 55662367) is 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCCCN2CCN(CC)CC2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide?
The InChIKey is CZXOCNRQIASHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O3/c1-4-22-9-11-23(12-10-22)8-6-7-21-19(24)15-13-16(20)18(26-5-2)17(14-15)25-3/h13-14H,4-12H2,1-3H3,(H,21,24).
What are the key properties of 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide?
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide has a molecular weight of 383.92 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide is sourced from PubChem (CID 55662367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).