N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide

C24H35NO3 — CID 133203923

IUPACN-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
SMILESCCCCCC(C)(OCC)C(=O)Nc1ccc(OC(C)CC)c2ccccc12
InChIInChI=1S/C24H35NO3/c1-6-9-12-17-24(5,27-8-3)23(26)25-21-15-16-22(28-18(4)7-2)20-14-11-10-13-19(20)21/h10-11,13-16,18H,6-9,12,17H2,1-5H3,(H,25,26)
InChIKeyLRSCWMJDCNXLRW-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.33
Rot. Bonds11

About N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide

N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide (PubChem CID 133203923) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
PubChem CID133203923
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC NameN-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
SMILESCCCCCC(C)(OCC)C(=O)Nc1ccc(OC(C)CC)c2ccccc12
InChIInChI=1S/C24H35NO3/c1-6-9-12-17-24(5,27-8-3)23(26)25-21-15-16-22(28-18(4)7-2)20-14-11-10-13-19(20)21/h10-11,13-16,18H,6-9,12,17H2,1-5H3,(H,25,26)
InChIKeyLRSCWMJDCNXLRW-UHFFFAOYSA-N
XLogP6.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
CID 100761479
(2S)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methyl-2-propoxybutanamide
CID 100764450
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
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
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100760606
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
(2R)-N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-ethoxy-2-methylheptanamide
CID 100761428
(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
methyl 2-butan-2-yloxy-5-[(2-ethoxy-2-methylheptanoyl)amino]benzoate
CID 133203893
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[(2R)-2-ethoxy-2-methylheptanoyl]amino]benzoate
CID 100761247

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide?
The IUPAC name of N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide (CID 133203923) is N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide.
What is the SMILES notation for N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide?
The canonical SMILES for N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide is CCCCCC(C)(OCC)C(=O)Nc1ccc(OC(C)CC)c2ccccc12.
What is the InChIKey of N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide?
The InChIKey is LRSCWMJDCNXLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-6-9-12-17-24(5,27-8-3)23(26)25-21-15-16-22(28-18(4)7-2)20-14-11-10-13-19(20)21/h10-11,13-16,18H,6-9,12,17H2,1-5H3,(H,25,26).
What are the key properties of N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide?
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide has a molecular weight of 385.55 g/mol, XLogP of 6.33, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide is sourced from PubChem (CID 133203923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).