4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one

C25H27NO2 — CID 149035430

IUPAC4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
SMILESC[C@@H](CCC1COCC(=O)N1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H27NO2/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)14-15-22-17-28-18-25(27)26(22)16-20-8-3-2-4-9-20/h2-13,19,22H,14-18H2,1H3/t19-,22?/m0/s1
InChIKeyQGNNSDVCPOWAMA-YDNXMHBPSA-N
MW373.50 g/mol
LogP5.15
Rot. Bonds6

About 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one

4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one (PubChem CID 149035430) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
PubChem CID149035430
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
SMILESC[C@@H](CCC1COCC(=O)N1Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H27NO2/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)14-15-22-17-28-18-25(27)26(22)16-20-8-3-2-4-9-20/h2-13,19,22H,14-18H2,1H3/t19-,22?/m0/s1
InChIKeyQGNNSDVCPOWAMA-YDNXMHBPSA-N
XLogP5.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide
CID 158170975
(5S)-5-amino-4-benzylmorpholin-3-one
CID 68600910
4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
CID 159818767
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one?
The IUPAC name of 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one (CID 149035430) is 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one?
The canonical SMILES for 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one is C[C@@H](CCC1COCC(=O)N1Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one?
The InChIKey is QGNNSDVCPOWAMA-YDNXMHBPSA-N. The full InChI is InChI=1S/C25H27NO2/c1-19(23-13-7-11-21-10-5-6-12-24(21)23)14-15-22-17-28-18-25(27)26(22)16-20-8-3-2-4-9-20/h2-13,19,22H,14-18H2,1H3/t19-,22?/m0/s1.
What are the key properties of 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one?
4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one has a molecular weight of 373.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one is sourced from PubChem (CID 149035430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).