(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide

C22H31NO2 — CID 131850210

IUPAC(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide
SMILESCCCC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CCC)CCC
InChIInChI=1S/C22H31NO2/c1-4-7-12-21(22(24)23(15-5-2)16-6-3)25-20-14-13-18-10-8-9-11-19(18)17-20/h8-11,13-14,17,21H,4-7,12,15-16H2,1-3H3/t21-/m0/s1
InChIKeyOYSFVQGDXFDGAF-NRFANRHFSA-N
MW341.50 g/mol
LogP5.43
Rot. Bonds10

About (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide

(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide (PubChem CID 131850210) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide
PubChem CID131850210
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide
SMILESCCCC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CCC)CCC
InChIInChI=1S/C22H31NO2/c1-4-7-12-21(22(24)23(15-5-2)16-6-3)25-20-14-13-18-10-8-9-11-19(18)17-20/h8-11,13-14,17,21H,4-7,12,15-16H2,1-3H3/t21-/m0/s1
InChIKeyOYSFVQGDXFDGAF-NRFANRHFSA-N
XLogP5.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
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2-naphthalen-2-yloxypentanehydrazide
CID 54792972
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N,N-dibutyl-2-phenoxybutanamide
CID 3492483
5-amino-2-naphthalen-2-yloxypentanoic acid
CID 112514781
(2R)-2-phenoxyhexanoic acid
CID 71401043
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801
4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133
2-[2-naphthalen-2-yloxyethyl(propyl)amino]acetic acid
CID 61007729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide (CID 131850210) is (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide is CCCC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CCC)CCC.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide?
The InChIKey is OYSFVQGDXFDGAF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H31NO2/c1-4-7-12-21(22(24)23(15-5-2)16-6-3)25-20-14-13-18-10-8-9-11-19(18)17-20/h8-11,13-14,17,21H,4-7,12,15-16H2,1-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide?
(2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide has a molecular weight of 341.50 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yloxy-N,N-dipropylhexanamide is sourced from PubChem (CID 131850210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).