4-(3-amino-5-methylphenyl)morpholine-3-carboxamide

C12H17N3O2 — CID 112648201

IUPAC4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
SMILESCc1cc(N)cc(N2CCOCC2C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-9(13)6-10(5-8)15-2-3-17-7-11(15)12(14)16/h4-6,11H,2-3,7,13H2,1H3,(H2,14,16)
InChIKeyQZTJCHYHOWUIST-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.27
Rot. Bonds2

About 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide

4-(3-amino-5-methylphenyl)morpholine-3-carboxamide (PubChem CID 112648201) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
PubChem CID112648201
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
SMILESCc1cc(N)cc(N2CCOCC2C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-9(13)6-10(5-8)15-2-3-17-7-11(15)12(14)16/h4-6,11H,2-3,7,13H2,1H3,(H2,14,16)
InChIKeyQZTJCHYHOWUIST-UHFFFAOYSA-N
XLogP0.27
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213
4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
CID 83094750

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide (CID 112648201) is 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide is Cc1cc(N)cc(N2CCOCC2C(N)=O)c1.
What is the InChIKey of 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide?
The InChIKey is QZTJCHYHOWUIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-9(13)6-10(5-8)15-2-3-17-7-11(15)12(14)16/h4-6,11H,2-3,7,13H2,1H3,(H2,14,16).
What are the key properties of 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide?
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 112648201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).