2-(3-tert-butylanilino)-1-morpholin-4-ylethanone

C16H24N2O2 — CID 59090711

IUPAC2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1cccc(NCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-5-4-6-14(11-13)17-12-15(19)18-7-9-20-10-8-18/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyYADHEJZKDCVTJX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds3

About 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone

2-(3-tert-butylanilino)-1-morpholin-4-ylethanone (PubChem CID 59090711) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
PubChem CID59090711
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-tert-butylanilino)-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1cccc(NCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)13-5-4-6-14(11-13)17-12-15(19)18-7-9-20-10-8-18/h4-6,11,17H,7-10,12H2,1-3H3
InChIKeyYADHEJZKDCVTJX-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
1-morpholin-4-yl-2-(3-piperidin-1-ylsulfonylanilino)ethanone
CID 55345366
N-(3-tert-butylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143361
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
2-(3-bromo-4-fluoroanilino)-1-morpholin-4-ylethanone
CID 113242520
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone (CID 59090711) is 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone is CC(C)(C)c1cccc(NCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone?
The InChIKey is YADHEJZKDCVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)13-5-4-6-14(11-13)17-12-15(19)18-7-9-20-10-8-18/h4-6,11,17H,7-10,12H2,1-3H3.
What are the key properties of 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone?
2-(3-tert-butylanilino)-1-morpholin-4-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylanilino)-1-morpholin-4-ylethanone is sourced from PubChem (CID 59090711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).