1-(N-morpholin-4-ylanilino)hexan-2-one

C16H24N2O2 — CID 174985983

IUPAC1-(N-morpholin-4-ylanilino)hexan-2-one
SMILESCCCCC(=O)CN(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-3-9-16(19)14-18(15-7-5-4-6-8-15)17-10-12-20-13-11-17/h4-8H,2-3,9-14H2,1H3
InChIKeyCEQFAOCNNIMWLT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds7

About 1-(N-morpholin-4-ylanilino)hexan-2-one

1-(N-morpholin-4-ylanilino)hexan-2-one (PubChem CID 174985983) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(N-morpholin-4-ylanilino)hexan-2-one.

Molecular Properties

Compound Name1-(N-morpholin-4-ylanilino)hexan-2-one
PubChem CID174985983
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(N-morpholin-4-ylanilino)hexan-2-one
SMILESCCCCC(=O)CN(c1ccccc1)N1CCOCC1
InChIInChI=1S/C16H24N2O2/c1-2-3-9-16(19)14-18(15-7-5-4-6-8-15)17-10-12-20-13-11-17/h4-8H,2-3,9-14H2,1H3
InChIKeyCEQFAOCNNIMWLT-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-morpholin-4-ylbenzamide
CID 154120289
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
N,N-dibutylaniline;4-phenylmorpholine
CID 159818534
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
N-hydroxy-N-phenylpentanamide
CID 13199036
1-morpholin-4-yl-1-phenylhydrazine
CID 69411325
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
N-methyl-N-phenylnonanamide
CID 54136731
N-hydroxy-N-morpholin-4-ylbenzamide
CID 167437599

Frequently Asked Questions

What is the IUPAC name of 1-(N-morpholin-4-ylanilino)hexan-2-one?
The IUPAC name of 1-(N-morpholin-4-ylanilino)hexan-2-one (CID 174985983) is 1-(N-morpholin-4-ylanilino)hexan-2-one.
What is the SMILES notation for 1-(N-morpholin-4-ylanilino)hexan-2-one?
The canonical SMILES for 1-(N-morpholin-4-ylanilino)hexan-2-one is CCCCC(=O)CN(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(N-morpholin-4-ylanilino)hexan-2-one?
The InChIKey is CEQFAOCNNIMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-9-16(19)14-18(15-7-5-4-6-8-15)17-10-12-20-13-11-17/h4-8H,2-3,9-14H2,1H3.
What are the key properties of 1-(N-morpholin-4-ylanilino)hexan-2-one?
1-(N-morpholin-4-ylanilino)hexan-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-morpholin-4-ylanilino)hexan-2-one is sourced from PubChem (CID 174985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).