2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one

C16H25N3O2 — CID 115378152

IUPAC2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCOCC2)cc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-12-5-6-14(11-15(12)18(3)4)17-13(2)16(20)19-7-9-21-10-8-19/h5-6,11,13,17H,7-10H2,1-4H3
InChIKeyCDYKEHNBXJXGTQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.72
Rot. Bonds4

About 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one

2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115378152) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
PubChem CID115378152
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCOCC2)cc1N(C)C
InChIInChI=1S/C16H25N3O2/c1-12-5-6-14(11-15(12)18(3)4)17-13(2)16(20)19-7-9-21-10-8-19/h5-6,11,13,17H,7-10H2,1-4H3
InChIKeyCDYKEHNBXJXGTQ-UHFFFAOYSA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378263
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
3,4-dimethyl-N-[3-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]benzenesulfonamide
CID 39965056
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7830463
N-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenyl]methanesulfonamide
CID 31268214
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
CID 60661902
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one (CID 115378152) is 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one is Cc1ccc(NC(C)C(=O)N2CCOCC2)cc1N(C)C.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CDYKEHNBXJXGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-6-14(11-15(12)18(3)4)17-13(2)16(20)19-7-9-21-10-8-19/h5-6,11,13,17H,7-10H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one?
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115378152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).