N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide

C14H19BrN2O4 — CID 119771820

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESCOc1cc(Br)c(CNC(=O)C2COCCN2)cc1OC
InChIInChI=1S/C14H19BrN2O4/c1-19-12-5-9(10(15)6-13(12)20-2)7-17-14(18)11-8-21-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyDAWUUWQSYVHQBL-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.07
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide (PubChem CID 119771820) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
PubChem CID119771820
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESCOc1cc(Br)c(CNC(=O)C2COCCN2)cc1OC
InChIInChI=1S/C14H19BrN2O4/c1-19-12-5-9(10(15)6-13(12)20-2)7-17-14(18)11-8-21-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyDAWUUWQSYVHQBL-UHFFFAOYSA-N
XLogP1.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]morpholine-3-carboxamide
CID 119763446
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119731563

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide (CID 119771820) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide is COc1cc(Br)c(CNC(=O)C2COCCN2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is DAWUUWQSYVHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-19-12-5-9(10(15)6-13(12)20-2)7-17-14(18)11-8-21-4-3-16-11/h5-6,11,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119771820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).