(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone

C20H25N3O3 — CID 154418436

IUPAC(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone
SMILESCC(COc1ccccc1C(=O)c1ccc(N)c(N)c1)N1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-14(23-8-10-25-11-9-23)13-26-19-5-3-2-4-16(19)20(24)15-6-7-17(21)18(22)12-15/h2-7,12,14H,8-11,13,21-22H2,1H3
InChIKeyONBGPYWJXRWOSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds6

About (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone

(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone (PubChem CID 154418436) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone
PubChem CID154418436
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone
SMILESCC(COc1ccccc1C(=O)c1ccc(N)c(N)c1)N1CCOCC1
InChIInChI=1S/C20H25N3O3/c1-14(23-8-10-25-11-9-23)13-26-19-5-3-2-4-16(19)20(24)15-6-7-17(21)18(22)12-15/h2-7,12,14H,8-11,13,21-22H2,1H3
InChIKeyONBGPYWJXRWOSQ-UHFFFAOYSA-N
XLogP2.18
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
CID 154418389
(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone
CID 21451538
(2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724219
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
(3,4-diaminophenyl)-[2-[3-(dibutylamino)butan-2-yloxy]phenyl]methanone
CID 21451658
2-morpholin-4-ylpropyl 2-methylpropanoate
CID 131966450
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
[(2S)-2-morpholin-4-ylpropyl] 3-(3-oxomorpholin-4-yl)benzoate
CID 167909828
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
CID 82037237
methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
CID 169157685
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone?
The IUPAC name of (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone (CID 154418436) is (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone.
What is the SMILES notation for (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone?
The canonical SMILES for (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone is CC(COc1ccccc1C(=O)c1ccc(N)c(N)c1)N1CCOCC1.
What is the InChIKey of (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone?
The InChIKey is ONBGPYWJXRWOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(23-8-10-25-11-9-23)13-26-19-5-3-2-4-16(19)20(24)15-6-7-17(21)18(22)12-15/h2-7,12,14H,8-11,13,21-22H2,1H3.
What are the key properties of (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone?
(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 154418436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).