N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

C25H37NO3 — CID 100765689

IUPACN-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ccccc12
InChIInChI=1S/C25H37NO3/c1-7-15-29-25(16-18(3)4,17-19(5)6)24(27)26-22-13-14-23(28-8-2)21-12-10-9-11-20(21)22/h9-14,18-19H,7-8,15-17H2,1-6H3,(H,26,27)
InChIKeyPNQMZOVOSQXSNQ-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.43
Rot. Bonds11

About N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (PubChem CID 100765689) has the molecular formula C25H37NO3 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
PubChem CID100765689
Molecular FormulaC25H37NO3
Molecular Weight399.58 g/mol
Exact Mass399.28
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ccccc12
InChIInChI=1S/C25H37NO3/c1-7-15-29-25(16-18(3)4,17-19(5)6)24(27)26-22-13-14-23(28-8-2)21-12-10-9-11-20(21)22/h9-14,18-19H,7-8,15-17H2,1-6H3,(H,26,27)
InChIKeyPNQMZOVOSQXSNQ-UHFFFAOYSA-N
XLogP6.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(4-propan-2-yloxynaphthalen-1-yl)pentanamide
CID 100760592
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
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
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
(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
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxypropanamide
CID 100763958
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (CID 100765689) is N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ccccc12.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The InChIKey is PNQMZOVOSQXSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3/c1-7-15-29-25(16-18(3)4,17-19(5)6)24(27)26-22-13-14-23(28-8-2)21-12-10-9-11-20(21)22/h9-14,18-19H,7-8,15-17H2,1-6H3,(H,26,27).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide has a molecular weight of 399.58 g/mol, XLogP of 6.43, 11 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)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is sourced from PubChem (CID 100765689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).