2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide

C23H33NO3 — CID 133205372

IUPAC2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C23H33NO3/c1-6-8-15-23(5,26-16-7-2)22(25)24-20-13-14-21(27-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25)
InChIKeyJPSOMSHYUSHBBN-UHFFFAOYSA-N
MW371.52 g/mol
LogP5.94
Rot. Bonds10

About 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide

2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide (PubChem CID 133205372) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
PubChem CID133205372
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C23H33NO3/c1-6-8-15-23(5,26-16-7-2)22(25)24-20-13-14-21(27-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25)
InChIKeyJPSOMSHYUSHBBN-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
(2R)-2-methoxy-2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)hexanamide
CID 100774849
(2R)-2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylhexanamide
CID 100755111
(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
CID 100761479
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
CID 100760592
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide?
The IUPAC name of 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide (CID 133205372) is 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide is CCCCC(C)(OCCC)C(=O)Nc1ccc(OC(C)C)c2ccccc12.
What is the InChIKey of 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide?
The InChIKey is JPSOMSHYUSHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO3/c1-6-8-15-23(5,26-16-7-2)22(25)24-20-13-14-21(27-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25).
What are the key properties of 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide?
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide has a molecular weight of 371.52 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide is sourced from PubChem (CID 133205372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).