1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one

C17H27N3O2 — CID 82258130

IUPAC1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
SMILESCCC(NCCCN1CCOCC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H27N3O2/c1-2-16(17(21)14-4-6-15(18)7-5-14)19-8-3-9-20-10-12-22-13-11-20/h4-7,16,19H,2-3,8-13,18H2,1H3
InChIKeyYYMWPQQQHCPKPU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.54
Rot. Bonds8

About 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one

1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one (PubChem CID 82258130) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
PubChem CID82258130
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
SMILESCCC(NCCCN1CCOCC1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H27N3O2/c1-2-16(17(21)14-4-6-15(18)7-5-14)19-8-3-9-20-10-12-22-13-11-20/h4-7,16,19H,2-3,8-13,18H2,1H3
InChIKeyYYMWPQQQHCPKPU-UHFFFAOYSA-N
XLogP1.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
CID 77028984
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 18580971
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one (CID 82258130) is 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one is CCC(NCCCN1CCOCC1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one?
The InChIKey is YYMWPQQQHCPKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-16(17(21)14-4-6-15(18)7-5-14)19-8-3-9-20-10-12-22-13-11-20/h4-7,16,19H,2-3,8-13,18H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one?
1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one has a molecular weight of 305.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one is sourced from PubChem (CID 82258130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).