2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide

C25H37NO3 — CID 100760592

IUPAC2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C25H37NO3/c1-8-28-25(15-17(2)3,16-18(4)5)24(27)26-22-13-14-23(29-19(6)7)21-12-10-9-11-20(21)22/h9-14,17-19H,8,15-16H2,1-7H3,(H,26,27)
InChIKeyLOQHSAQTTMELFF-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.43
Rot. Bonds10

About 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide

2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide (PubChem CID 100760592) has the molecular formula C25H37NO3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
PubChem CID100760592
Molecular FormulaC25H37NO3
Molecular Weight399.58 g/mol
Exact Mass399.28
IUPAC Name2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
SMILESCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C25H37NO3/c1-8-28-25(15-17(2)3,16-18(4)5)24(27)26-22-13-14-23(29-19(6)7)21-12-10-9-11-20(21)22/h9-14,17-19H,8,15-16H2,1-7H3,(H,26,27)
InChIKeyLOQHSAQTTMELFF-UHFFFAOYSA-N
XLogP6.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
2-methoxy-2,4-dimethyl-N-(8-propan-2-yloxyquinolin-5-yl)pentanamide
CID 133205573
2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776537
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide?
The IUPAC name of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide (CID 100760592) is 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide.
What is the SMILES notation for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide?
The canonical SMILES for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide is CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12.
What is the InChIKey of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide?
The InChIKey is LOQHSAQTTMELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3/c1-8-28-25(15-17(2)3,16-18(4)5)24(27)26-22-13-14-23(29-19(6)7)21-12-10-9-11-20(21)22/h9-14,17-19H,8,15-16H2,1-7H3,(H,26,27).
What are the key properties of 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide?
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide has a molecular weight of 399.58 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide is sourced from PubChem (CID 100760592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).