(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one

C19H29NO3 — CID 951243

IUPAC(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(C)Oc1ccc([C@@H](CC(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)18(13-19(21)20-9-11-22-12-10-20)16-5-7-17(8-6-16)23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3/t18-/m0/s1
InChIKeyWXECQPGLVNKPCB-SFHVURJKSA-N
MW319.44 g/mol
LogP3.46
Rot. Bonds6

About (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one

(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 951243) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
PubChem CID951243
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
SMILESCC(C)Oc1ccc([C@@H](CC(=O)N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)18(13-19(21)20-9-11-22-12-10-20)16-5-7-17(8-6-16)23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3/t18-/m0/s1
InChIKeyWXECQPGLVNKPCB-SFHVURJKSA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one with MolForge

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Related Compounds

(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)-1-pyrrolidin-1-ylpentan-1-one
CID 906828
(3S)-4-methyl-1-piperidin-1-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 906626
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
4-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpentan-1-one
CID 110620002
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
3-methyl-1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806888
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 78934055
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 63367920
3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
3-(4-bromophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110355527
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one (CID 951243) is (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one is CC(C)Oc1ccc([C@@H](CC(=O)N2CCOCC2)C(C)C)cc1.
What is the InChIKey of (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is WXECQPGLVNKPCB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)18(13-19(21)20-9-11-22-12-10-20)16-5-7-17(8-6-16)23-15(3)4/h5-8,14-15,18H,9-13H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one?
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 951243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).