3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C23H29BrN2O4 — CID 55660338

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(c2cccc(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H29BrN2O4/c1-4-30-22-19(24)13-18(14-21(22)28-3)23(27)25-15-20(26-8-10-29-11-9-26)17-7-5-6-16(2)12-17/h5-7,12-14,20H,4,8-11,15H2,1-3H3,(H,25,27)
InChIKeyHWBRWFVMTZXWTC-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.97
Rot. Bonds8

About 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 55660338) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID55660338
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)NCC(c2cccc(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H29BrN2O4/c1-4-30-22-19(24)13-18(14-21(22)28-3)23(27)25-15-20(26-8-10-29-11-9-26)17-7-5-6-16(2)12-17/h5-7,12-14,20H,4,8-11,15H2,1-3H3,(H,25,27)
InChIKeyHWBRWFVMTZXWTC-UHFFFAOYSA-N
XLogP3.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
CID 24647897
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110304128
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3,4-dimethylbenzamide
CID 16831444

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 55660338) is 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide is CCOc1c(Br)cc(C(=O)NCC(c2cccc(C)c2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is HWBRWFVMTZXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-4-30-22-19(24)13-18(14-21(22)28-3)23(27)25-15-20(26-8-10-29-11-9-26)17-7-5-6-16(2)12-17/h5-7,12-14,20H,4,8-11,15H2,1-3H3,(H,25,27).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 477.40 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 55660338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).