N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide

C24H27NO2 — CID 100782651

IUPACN-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-5-27-22-15-14-21(19-8-6-7-9-20(19)22)25-23(26)24(3,4)16-18-12-10-17(2)11-13-18/h6-15H,5,16H2,1-4H3,(H,25,26)
InChIKeyVHBXKCJODLRSDU-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.75
Rot. Bonds6

About N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide

N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide (PubChem CID 100782651) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
PubChem CID100782651
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C24H27NO2/c1-5-27-22-15-14-21(19-8-6-7-9-20(19)22)25-23(26)24(3,4)16-18-12-10-17(2)11-13-18/h6-15H,5,16H2,1-4H3,(H,25,26)
InChIKeyVHBXKCJODLRSDU-UHFFFAOYSA-N
XLogP5.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
CID 100782776
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782
2-methoxy-2-methyl-N-(4-propoxynaphthalen-1-yl)butanamide
CID 133229716
2-methoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]propanamide
CID 100752413
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
CID 100752361
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763689
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide (CID 100782651) is N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide is CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide?
The InChIKey is VHBXKCJODLRSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-5-27-22-15-14-21(19-8-6-7-9-20(19)22)25-23(26)24(3,4)16-18-12-10-17(2)11-13-18/h6-15H,5,16H2,1-4H3,(H,25,26).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide?
N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 100782651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).