3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C17H25BrN2O4 — CID 55715764

IUPAC3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCCOc1c(Br)cc(C(=O)NC(C)CN2CCOCC2)cc1OC
InChIInChI=1S/C17H25BrN2O4/c1-4-24-16-14(18)9-13(10-15(16)22-3)17(21)19-12(2)11-20-5-7-23-8-6-20/h9-10,12H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyTZVXMQMSYCXZDQ-UHFFFAOYSA-N
MW401.30 g/mol
LogP2.31
Rot. Bonds7

About 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide

3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 55715764) has the molecular formula C17H25BrN2O4 and a molecular weight of 401.30 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID55715764
Molecular FormulaC17H25BrN2O4
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCCOc1c(Br)cc(C(=O)NC(C)CN2CCOCC2)cc1OC
InChIInChI=1S/C17H25BrN2O4/c1-4-24-16-14(18)9-13(10-15(16)22-3)17(21)19-12(2)11-20-5-7-23-8-6-20/h9-10,12H,4-8,11H2,1-3H3,(H,19,21)
InChIKeyTZVXMQMSYCXZDQ-UHFFFAOYSA-N
XLogP2.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
CID 55614668
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
CID 122565746
3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55660338
2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
[(2R)-1-morpholin-4-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 844388
N-(3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 4230551
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 6723748
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 55715764) is 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CCOc1c(Br)cc(C(=O)NC(C)CN2CCOCC2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is TZVXMQMSYCXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O4/c1-4-24-16-14(18)9-13(10-15(16)22-3)17(21)19-12(2)11-20-5-7-23-8-6-20/h9-10,12H,4-8,11H2,1-3H3,(H,19,21).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 401.30 g/mol, XLogP of 2.31, 7 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-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 55715764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).