N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide

C14H19BrN2O3 — CID 75374576

IUPACN-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1ccc(OC)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-3-10-9-20-7-6-17(10)14(18)16-13-5-4-11(19-2)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQAISVWANYBRDSB-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.10
Rot. Bonds3

About N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide

N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide (PubChem CID 75374576) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
PubChem CID75374576
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)Nc1ccc(OC)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-3-10-9-20-7-6-17(10)14(18)16-13-5-4-11(19-2)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQAISVWANYBRDSB-UHFFFAOYSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
CID 65326745
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
2-[4-[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]morpholin-3-yl]acetic acid
CID 50971214
3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
CID 126839117
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
CID 138042517
2-(3-ethylmorpholin-4-yl)-1-(4-methoxyphenyl)ethanone
CID 43797594
(3R)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 96535639

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide (CID 75374576) is N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide is CCC1COCCN1C(=O)Nc1ccc(OC)cc1Br.
What is the InChIKey of N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide?
The InChIKey is QAISVWANYBRDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-10-9-20-7-6-17(10)14(18)16-13-5-4-11(19-2)8-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide?
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 75374576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).