4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide

C15H23N3O2 — CID 115980875

IUPAC4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1cc(N)cc(N2CCOCC2C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-5-4-18(14)13-7-11(3)6-12(16)8-13/h6-8,10,14H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyPHPPUUXYAVGHMW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.31
Rot. Bonds3

About 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 115980875) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID115980875
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1cc(N)cc(N2CCOCC2C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-5-4-18(14)13-7-11(3)6-12(16)8-13/h6-8,10,14H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyPHPPUUXYAVGHMW-UHFFFAOYSA-N
XLogP1.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 115980875) is 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide is Cc1cc(N)cc(N2CCOCC2C(=O)NC(C)C)c1.
What is the InChIKey of 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is PHPPUUXYAVGHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-5-4-18(14)13-7-11(3)6-12(16)8-13/h6-8,10,14H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.31, 3 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)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 115980875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).