N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide

C17H23BrN2O3 — CID 119738787

IUPACN-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)C1COCCN1
InChIInChI=1S/C17H23BrN2O3/c18-14-3-1-2-13(10-14)17(4-7-22-8-5-17)12-20-16(21)15-11-23-9-6-19-15/h1-3,10,15,19H,4-9,11-12H2,(H,20,21)
InChIKeyHZHIDRHUTVYQEU-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.60
Rot. Bonds4

About N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide (PubChem CID 119738787) has the molecular formula C17H23BrN2O3 and a molecular weight of 383.29 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
PubChem CID119738787
Molecular FormulaC17H23BrN2O3
Molecular Weight383.29 g/mol
Exact Mass382.09
IUPAC NameN-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(c2cccc(Br)c2)CCOCC1)C1COCCN1
InChIInChI=1S/C17H23BrN2O3/c18-14-3-1-2-13(10-14)17(4-7-22-8-5-17)12-20-16(21)15-11-23-9-6-19-15/h1-3,10,15,19H,4-9,11-12H2,(H,20,21)
InChIKeyHZHIDRHUTVYQEU-UHFFFAOYSA-N
XLogP1.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
(2S,5R)-5-(aminomethyl)-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120788855
(2R)-2-amino-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]propanamide
CID 119297793

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide (CID 119738787) is N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide is O=C(NCC1(c2cccc(Br)c2)CCOCC1)C1COCCN1.
What is the InChIKey of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide?
The InChIKey is HZHIDRHUTVYQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3/c18-14-3-1-2-13(10-14)17(4-7-22-8-5-17)12-20-16(21)15-11-23-9-6-19-15/h1-3,10,15,19H,4-9,11-12H2,(H,20,21).
What are the key properties of N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide?
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119738787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).