3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C15H22BrNO4 — CID 61025267

IUPAC3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H22BrNO4/c1-19-9-4-7-17(8-10-20-2)15(18)12-5-6-14(21-3)13(16)11-12/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJDUURVMUCGMTEP-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.58
Rot. Bonds9

About 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 61025267) has the molecular formula C15H22BrNO4 and a molecular weight of 360.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID61025267
Molecular FormulaC15H22BrNO4
Molecular Weight360.25 g/mol
Exact Mass359.07
IUPAC Name3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H22BrNO4/c1-19-9-4-7-17(8-10-20-2)15(18)12-5-6-14(21-3)13(16)11-12/h5-6,11H,4,7-10H2,1-3H3
InChIKeyJDUURVMUCGMTEP-UHFFFAOYSA-N
XLogP2.58
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-methoxy-N-(2-methoxyethyl)benzamide
CID 63287221
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998591
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 61025267) is 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is JDUURVMUCGMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO4/c1-19-9-4-7-17(8-10-20-2)15(18)12-5-6-14(21-3)13(16)11-12/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 360.25 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 61025267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).