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

C14H19BrN2O4 — CID 119764891

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CNCCO2)cc(Br)c1OC
InChIInChI=1S/C14H19BrN2O4/c1-19-11-6-9(5-10(15)13(11)20-2)7-17-14(18)12-8-16-3-4-21-12/h5-6,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyTXLWERSTEROARP-UHFFFAOYSA-N
MW359.22 g/mol
LogP1.07
Rot. Bonds5

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

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide (PubChem CID 119764891) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide
PubChem CID119764891
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CNCCO2)cc(Br)c1OC
InChIInChI=1S/C14H19BrN2O4/c1-19-11-6-9(5-10(15)13(11)20-2)7-17-14(18)12-8-16-3-4-21-12/h5-6,12,16H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyTXLWERSTEROARP-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

(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119312699
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide (CID 119764891) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide is COc1cc(CNC(=O)C2CNCCO2)cc(Br)c1OC.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is TXLWERSTEROARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-19-11-6-9(5-10(15)13(11)20-2)7-17-14(18)12-8-16-3-4-21-12/h5-6,12,16H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-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-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119764891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).