N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide

C14H19BrN2O3 — CID 119819637

IUPACN-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(2)20-12-6-10(15)5-11(7-12)17-14(18)13-8-16-3-4-19-13/h5-7,9,13,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVJXFUBUPQKKIMO-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.16
Rot. Bonds4

About N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide

N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide (PubChem CID 119819637) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
PubChem CID119819637
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
SMILESCC(C)Oc1cc(Br)cc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C14H19BrN2O3/c1-9(2)20-12-6-10(15)5-11(7-12)17-14(18)13-8-16-3-4-19-13/h5-7,9,13,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVJXFUBUPQKKIMO-UHFFFAOYSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-(morpholine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119673723
N-(6-bromo-3-pyridinyl)morpholine-2-carboxamide
CID 103813958
methyl 3-(morpholine-2-carbonylamino)-4-propan-2-yloxybenzoate
CID 119748523
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
CID 119819617

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide (CID 119819637) is N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide is CC(C)Oc1cc(Br)cc(NC(=O)C2CNCCO2)c1.
What is the InChIKey of N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide?
The InChIKey is VJXFUBUPQKKIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(2)20-12-6-10(15)5-11(7-12)17-14(18)13-8-16-3-4-19-13/h5-7,9,13,16H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide?
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide is sourced from PubChem (CID 119819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).