(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide

C23H33NO3 — CID 100761072

IUPAC(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12
InChIInChI=1S/C23H33NO3/c1-6-8-15-23(5,27-7-2)22(25)24-20-13-14-21(26-16-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25)/t23-/m1/s1
InChIKeyPBUKETDZANQDGG-HSZRJFAPSA-N
MW371.52 g/mol
LogP5.80
Rot. Bonds10

About (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide (PubChem CID 100761072) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
PubChem CID100761072
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12
InChIInChI=1S/C23H33NO3/c1-6-8-15-23(5,27-7-2)22(25)24-20-13-14-21(26-16-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25)/t23-/m1/s1
InChIKeyPBUKETDZANQDGG-HSZRJFAPSA-N
XLogP5.80
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 ≤ 55.80
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
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
CID 100761479
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylhexanamide
CID 100755111
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763689
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide?
The IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide (CID 100761072) is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide.
What is the SMILES notation for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide?
The canonical SMILES for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide is CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ccccc12.
What is the InChIKey of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide?
The InChIKey is PBUKETDZANQDGG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33NO3/c1-6-8-15-23(5,27-7-2)22(25)24-20-13-14-21(26-16-17(3)4)19-12-10-9-11-18(19)20/h9-14,17H,6-8,15-16H2,1-5H3,(H,24,25)/t23-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide?
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide has a molecular weight of 371.52 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide is sourced from PubChem (CID 100761072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).