4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

C15H23N3O2 — CID 83096329

IUPAC4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-10-12-3-5-13(6-4-12)18-8-9-20-11-14(18)15(16)19/h3-6,14,17H,2,7-11H2,1H3,(H2,16,19)
InChIKeyXYFHBZATSRXIRC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds6

About 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide

4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83096329) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83096329
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCCNCc1ccc(N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-10-12-3-5-13(6-4-12)18-8-9-20-11-14(18)15(16)19/h3-6,14,17H,2,7-11H2,1H3,(H2,16,19)
InChIKeyXYFHBZATSRXIRC-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
1-[4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 54984589
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525
4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
CID 83097570
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096413
N-[[4-(2-methylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913287
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890

Frequently Asked Questions

What is the IUPAC name of 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83096329) is 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is CCCNCc1ccc(N2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is XYFHBZATSRXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-17-10-12-3-5-13(6-4-12)18-8-9-20-11-14(18)15(16)19/h3-6,14,17H,2,7-11H2,1H3,(H2,16,19).
What are the key properties of 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide?
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).