[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone

C16H22N2O3 — CID 171121608

IUPAC[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(C(=O)N2CCOCC2)cc(C2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c17-15-10-13(12-1-5-20-6-2-12)9-14(11-15)16(19)18-3-7-21-8-4-18/h9-12H,1-8,17H2
InChIKeyYJLQXYHHIFTULM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.64
Rot. Bonds2

About [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone

[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 171121608) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID171121608
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(C(=O)N2CCOCC2)cc(C2CCOCC2)c1
InChIInChI=1S/C16H22N2O3/c17-15-10-13(12-1-5-20-6-2-12)9-14(11-15)16(19)18-3-7-21-8-4-18/h9-12H,1-8,17H2
InChIKeyYJLQXYHHIFTULM-UHFFFAOYSA-N
XLogP1.64
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(oxan-4-yl)benzoic acid
CID 67514172
(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
CID 75537166
[4-(3,5-diaminobenzoyl)piperazin-1-yl]-(3,5-diaminophenyl)methanone
CID 58291381
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244727
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
morpholin-4-yl-[4-(1-sulfanylpiperidin-4-yl)phenyl]methanone
CID 143305046
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209954
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone (CID 171121608) is [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone is Nc1cc(C(=O)N2CCOCC2)cc(C2CCOCC2)c1.
What is the InChIKey of [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is YJLQXYHHIFTULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-15-10-13(12-1-5-20-6-2-12)9-14(11-15)16(19)18-3-7-21-8-4-18/h9-12H,1-8,17H2.
What are the key properties of [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone?
[3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 290.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(oxan-4-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171121608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).