(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone

C16H23NO3 — CID 153363407

IUPAC(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCCC(C)c1ccc(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-4-12(2)14-6-5-13(11-15(14)19-3)16(18)17-7-9-20-10-8-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUFMIJIIKUIFKRG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds4

About (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone

(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 153363407) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
PubChem CID153363407
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
SMILESCCC(C)c1ccc(C(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-4-12(2)14-6-5-13(11-15(14)19-3)16(18)17-7-9-20-10-8-17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyUFMIJIIKUIFKRG-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
CID 112762921
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[4-[(2R)-butan-2-yl]piperazin-4-ium-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 6963378
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
(3-iodo-5-methoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
CID 126375071
[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146568076
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
(3-bromo-4-methoxyphenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778016

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone (CID 153363407) is (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone is CCC(C)c1ccc(C(=O)N2CCOCC2)cc1OC.
What is the InChIKey of (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is UFMIJIIKUIFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-12(2)14-6-5-13(11-15(14)19-3)16(18)17-7-9-20-10-8-17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone?
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 277.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 153363407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).