2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone

C15H23N3O3 — CID 117097700

IUPAC2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
SMILESNCCCNc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O3/c16-6-1-7-17-13-2-4-14(5-3-13)21-12-15(19)18-8-10-20-11-9-18/h2-5,17H,1,6-12,16H2
InChIKeyZJGRZNMBEZECCL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.68
Rot. Bonds7

About 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone

2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone (PubChem CID 117097700) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
PubChem CID117097700
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
SMILESNCCCNc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H23N3O3/c16-6-1-7-17-13-2-4-14(5-3-13)21-12-15(19)18-8-10-20-11-9-18/h2-5,17H,1,6-12,16H2
InChIKeyZJGRZNMBEZECCL-UHFFFAOYSA-N
XLogP0.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
3-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pyridine-4-carboxamide
CID 131932108
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
CID 169365684
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone (CID 117097700) is 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone is NCCCNc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is ZJGRZNMBEZECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-6-1-7-17-13-2-4-14(5-3-13)21-12-15(19)18-8-10-20-11-9-18/h2-5,17H,1,6-12,16H2.
What are the key properties of 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone?
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 293.37 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 117097700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).