4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide

C15H23N3O2 — CID 83106227

IUPAC4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-15(19)14-11-20-9-8-18(14)10-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyZQJLQWUVUHIVQT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.00
Rot. Bonds5

About 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide

4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83106227) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
PubChem CID83106227
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O2/c1-2-7-17-15(19)14-11-20-9-8-18(14)10-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3,(H,17,19)
InChIKeyZQJLQWUVUHIVQT-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-[(3,6-dichloro-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83098821
4-[(2-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099400
4-[(4-amino-2-chlorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83106435
4-[(4-hydrazinyl-2-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83105186
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
4-[(3-amino-4-methoxyphenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83097776
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[3-(3-aminopyrazol-1-yl)propyl]-N-propylmorpholine-3-carboxamide
CID 83097968
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide (CID 83106227) is 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is ZQJLQWUVUHIVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-17-15(19)14-11-20-9-8-18(14)10-12-3-5-13(16)6-4-12/h3-6,14H,2,7-11,16H2,1H3,(H,17,19).
What are the key properties of 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide?
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83106227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).