3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one

C19H30N2O2 — CID 109015777

IUPAC3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)N1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-14(2)16-6-5-7-17(15(3)4)19(16)20-9-8-18(22)21-10-12-23-13-11-21/h5-7,14-15,20H,8-13H2,1-4H3
InChIKeyWYDCMRDBXOIPTO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.59
Rot. Bonds6

About 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one

3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one (PubChem CID 109015777) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
PubChem CID109015777
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)c1cccc(C(C)C)c1NCCC(=O)N1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-14(2)16-6-5-7-17(15(3)4)19(16)20-9-8-18(22)21-10-12-23-13-11-21/h5-7,14-15,20H,8-13H2,1-4H3
InChIKeyWYDCMRDBXOIPTO-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
CID 109018185
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133370153

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one (CID 109015777) is 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one is CC(C)c1cccc(C(C)C)c1NCCC(=O)N1CCOCC1.
What is the InChIKey of 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WYDCMRDBXOIPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)16-6-5-7-17(15(3)4)19(16)20-9-8-18(22)21-10-12-23-13-11-21/h5-7,14-15,20H,8-13H2,1-4H3.
What are the key properties of 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one?
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 109015777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).