3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide

C25H28N2O2 — CID 158170975

IUPAC3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide
SMILESC[C@@H](CCC1COCCN1C(=O)Nc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-19(23-13-7-9-20-8-5-6-12-24(20)23)14-15-22-18-29-17-16-27(22)25(28)26-21-10-3-2-4-11-21/h2-13,19,22H,14-18H2,1H3,(H,26,28)/t19-,22?/m0/s1
InChIKeyFXLFXRYLNTWZRC-YDNXMHBPSA-N
MW388.51 g/mol
LogP5.66
Rot. Bonds5

About 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide

3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 158170975) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide
PubChem CID158170975
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide
SMILESC[C@@H](CCC1COCCN1C(=O)Nc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H28N2O2/c1-19(23-13-7-9-20-8-5-6-12-24(20)23)14-15-22-18-29-17-16-27(22)25(28)26-21-10-3-2-4-11-21/h2-13,19,22H,14-18H2,1H3,(H,26,28)/t19-,22?/m0/s1
InChIKeyFXLFXRYLNTWZRC-YDNXMHBPSA-N
XLogP5.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
4-(3-fluorophenyl)-3-[(3S)-3-naphthalen-1-ylbutyl]morpholine;hydrochloride
CID 159818767
4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
CID 149035430
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide (CID 158170975) is 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide is C[C@@H](CCC1COCCN1C(=O)Nc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is FXLFXRYLNTWZRC-YDNXMHBPSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(23-13-7-9-20-8-5-6-12-24(20)23)14-15-22-18-29-17-16-27(22)25(28)26-21-10-3-2-4-11-21/h2-13,19,22H,14-18H2,1H3,(H,26,28)/t19-,22?/m0/s1.
What are the key properties of 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide?
3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-naphthalen-1-ylbutyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 158170975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).