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

C15H23N3O2 — CID 83107053

IUPAC4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1ccc(N)c(N2CCOCC2C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-7-6-18(14)13-8-11(3)4-5-12(13)16/h4-5,8,10,14H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyVWGXZSVXNDNXJS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.31
Rot. Bonds3

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

4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83107053) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83107053
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCc1ccc(N)c(N2CCOCC2C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-7-6-18(14)13-8-11(3)4-5-12(13)16/h4-5,8,10,14H,6-7,9,16H2,1-3H3,(H,17,19)
InChIKeyVWGXZSVXNDNXJS-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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Related Compounds

4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104717017
4-[5-chloro-2-(hydroxymethyl)phenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 114845828
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
CID 83106285
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83107053) is 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide is Cc1ccc(N)c(N2CCOCC2C(=O)NC(C)C)c1.
What is the InChIKey of 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is VWGXZSVXNDNXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-15(19)14-9-20-7-6-18(14)13-8-11(3)4-5-12(13)16/h4-5,8,10,14H,6-7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2-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-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).