N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide

C22H23NO2 — CID 100782776

IUPACN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23NO2/c1-4-25-20-15-14-19(17-12-8-9-13-18(17)20)23-21(24)22(2,3)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3,(H,23,24)
InChIKeyKRAPJIOJYPDYFW-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.15
Rot. Bonds5

About N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide

N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide (PubChem CID 100782776) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
PubChem CID100782776
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H23NO2/c1-4-25-20-15-14-19(17-12-8-9-13-18(17)20)23-21(24)22(2,3)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3,(H,23,24)
InChIKeyKRAPJIOJYPDYFW-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
N-(4-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-(4-methylphenyl)propanamide
CID 100782651
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
2,2-diphenyl-N-(4-propan-2-yloxynaphthalen-1-yl)butanamide
CID 100781678
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
tert-butyl N-[1-[(4-ethoxynaphthalen-1-yl)carbamoyl]cyclopropyl]carbamate
CID 100780782
(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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide (CID 100782776) is N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide is CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is KRAPJIOJYPDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-4-25-20-15-14-19(17-12-8-9-13-18(17)20)23-21(24)22(2,3)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3,(H,23,24).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide?
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 333.43 g/mol, XLogP of 5.15, 5 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-methyl-2-phenylpropanamide is sourced from PubChem (CID 100782776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).