N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide

C20H27NO3 — CID 133204053

IUPACN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OCC)c2ccccc12
InChIInChI=1S/C20H27NO3/c1-5-14-24-20(4,6-2)19(22)21-17-12-13-18(23-7-3)16-11-9-8-10-15(16)17/h8-13H,5-7,14H2,1-4H3,(H,21,22)
InChIKeyNADILUSZIWVMMJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.77
Rot. Bonds8

About N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide

N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide (PubChem CID 133204053) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
PubChem CID133204053
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OCC)c2ccccc12
InChIInChI=1S/C20H27NO3/c1-5-14-24-20(4,6-2)19(22)21-17-12-13-18(23-7-3)16-11-9-8-10-15(16)17/h8-13H,5-7,14H2,1-4H3,(H,21,22)
InChIKeyNADILUSZIWVMMJ-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-N-(4-propoxynaphthalen-1-yl)butanamide
CID 133229716
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
CID 100782776
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 100777796
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
CID 100782651

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide (CID 133204053) is N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide is CCCOC(C)(CC)C(=O)Nc1ccc(OCC)c2ccccc12.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide?
The InChIKey is NADILUSZIWVMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-5-14-24-20(4,6-2)19(22)21-17-12-13-18(23-7-3)16-11-9-8-10-15(16)17/h8-13H,5-7,14H2,1-4H3,(H,21,22).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide?
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide has a molecular weight of 329.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 133204053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).