(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone

C20H25N3O3 — CID 21451538

IUPAC(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone
SMILESCC(CC1CNCCO1)Oc1ccccc1C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C20H25N3O3/c1-13(10-15-12-23-8-9-25-15)26-19-5-3-2-4-16(19)20(24)14-6-7-17(21)18(22)11-14/h2-7,11,13,15,23H,8-10,12,21-22H2,1H3
InChIKeyDUWTZXREOSFNGP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.23
Rot. Bonds6

About (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone

(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone (PubChem CID 21451538) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone.

Molecular Properties

Compound Name(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone
PubChem CID21451538
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone
SMILESCC(CC1CNCCO1)Oc1ccccc1C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C20H25N3O3/c1-13(10-15-12-23-8-9-25-15)26-19-5-3-2-4-16(19)20(24)14-6-7-17(21)18(22)11-14/h2-7,11,13,15,23H,8-10,12,21-22H2,1H3
InChIKeyDUWTZXREOSFNGP-UHFFFAOYSA-N
XLogP2.23
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diaminophenyl)-[2-(2-morpholin-4-ylpropoxy)phenyl]methanone
CID 154418436
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
(3,4-diaminophenyl)-[3-(2-morpholin-2-ylpropoxy)phenyl]methanone
CID 21451424
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974
(3,4-diaminophenyl)-[2-[3-(dibutylamino)butan-2-yloxy]phenyl]methanone
CID 21451658
(3,4-diaminophenyl)-[4-(2-morpholin-2-ylbutan-2-yloxy)phenyl]methanone
CID 54190454
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
(1R)-2-[(2S)-morpholin-2-yl]-1-phenylethanol
CID 91338656
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119716597

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone?
The IUPAC name of (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone (CID 21451538) is (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone.
What is the SMILES notation for (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone?
The canonical SMILES for (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone is CC(CC1CNCCO1)Oc1ccccc1C(=O)c1ccc(N)c(N)c1.
What is the InChIKey of (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone?
The InChIKey is DUWTZXREOSFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(10-15-12-23-8-9-25-15)26-19-5-3-2-4-16(19)20(24)14-6-7-17(21)18(22)11-14/h2-7,11,13,15,23H,8-10,12,21-22H2,1H3.
What are the key properties of (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone?
(3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)-[2-(1-morpholin-2-ylpropan-2-yloxy)phenyl]methanone is sourced from PubChem (CID 21451538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).