N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide

C25H27NO4 — CID 100750314

IUPACN-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12
InChIInChI=1S/C25H27NO4/c1-3-30-23-13-12-22(20-6-4-5-7-21(20)23)26-24(27)25(14-16-29-17-15-25)18-8-10-19(28-2)11-9-18/h4-13H,3,14-17H2,1-2H3,(H,26,27)
InChIKeyYTRMGELXSQQSRE-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.93
Rot. Bonds6

About N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide

N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 100750314) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID100750314
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12
InChIInChI=1S/C25H27NO4/c1-3-30-23-13-12-22(20-6-4-5-7-21(20)23)26-24(27)25(14-16-29-17-15-25)18-8-10-19(28-2)11-9-18/h4-13H,3,14-17H2,1-2H3,(H,26,27)
InChIKeyYTRMGELXSQQSRE-UHFFFAOYSA-N
XLogP4.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-(4-methoxynaphthalen-1-yl)-1-phenylcyclopropane-1-carboxamide
CID 100782309
N-(6-butoxy-2-methyl-3-pyridinyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100773165
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772769
4-(4-methoxyphenyl)-N-(4-propoxyphenyl)oxane-4-carboxamide
CID 100686962
N-(4-butoxyphenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100686987
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772965
N-[4-(2-methylpropoxy)naphthalen-1-yl]-1-phenylcyclopentane-1-carboxamide
CID 100719168
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 100750314) is N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide is CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is YTRMGELXSQQSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-3-30-23-13-12-22(20-6-4-5-7-21(20)23)26-24(27)25(14-16-29-17-15-25)18-8-10-19(28-2)11-9-18/h4-13H,3,14-17H2,1-2H3,(H,26,27).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 405.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxynaphthalen-1-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100750314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).