N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide

C31H33NO2 — CID 142214275

IUPACN-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
SMILESCCCCc1ccc(COCc2ccccc2)cc1NC(=O)C(C)c1cccc2ccccc12
InChIInChI=1S/C31H33NO2/c1-3-4-13-27-19-18-25(22-34-21-24-11-6-5-7-12-24)20-30(27)32-31(33)23(2)28-17-10-15-26-14-8-9-16-29(26)28/h5-12,14-20,23H,3-4,13,21-22H2,1-2H3,(H,32,33)
InChIKeyPOILMYPETLBEKK-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.64
Rot. Bonds10

About N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide

N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide (PubChem CID 142214275) has the molecular formula C31H33NO2 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
PubChem CID142214275
Molecular FormulaC31H33NO2
Molecular Weight451.61 g/mol
Exact Mass451.25
IUPAC NameN-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide
SMILESCCCCc1ccc(COCc2ccccc2)cc1NC(=O)C(C)c1cccc2ccccc12
InChIInChI=1S/C31H33NO2/c1-3-4-13-27-19-18-25(22-34-21-24-11-6-5-7-12-24)20-30(27)32-31(33)23(2)28-17-10-15-26-14-8-9-16-29(26)28/h5-12,14-20,23H,3-4,13,21-22H2,1-2H3,(H,32,33)
InChIKeyPOILMYPETLBEKK-UHFFFAOYSA-N
XLogP7.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(benzenesulfinylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23017572
ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 91562881
4-[4-fluoro-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 10156574
N-[2-benzyl-5-[(2-chloro-5-methylphenoxy)methyl]phenyl]-2-naphthalen-1-ylpropanamide
CID 141063789
4-[4-[[(3-methylbenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 23016966
4-[4-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methoxy]phenyl]butanoic acid
CID 174458881
N-[5-ethynyl-2-(4-oxobutyl)phenyl]-2-naphthalen-1-ylpropanamide
CID 142116711
2-[[2-(2-naphthalen-1-ylpropanoylamino)-4-(pyridin-3-yloxymethyl)phenyl]methyl]benzoic acid
CID 23017064
4-[3-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
CID 174471581
[2-(diethylamino)-2-oxoethyl] 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate
CID 20747681
10-[[2-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]cyclodeca-1,3,5,7,9-pentaene-1-carboxylic acid
CID 163426192
4-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]butanoic acid
CID 10110400

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide?
The IUPAC name of N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide (CID 142214275) is N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide.
What is the SMILES notation for N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide?
The canonical SMILES for N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide is CCCCc1ccc(COCc2ccccc2)cc1NC(=O)C(C)c1cccc2ccccc12.
What is the InChIKey of N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide?
The InChIKey is POILMYPETLBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2/c1-3-4-13-27-19-18-25(22-34-21-24-11-6-5-7-12-24)20-30(27)32-31(33)23(2)28-17-10-15-26-14-8-9-16-29(26)28/h5-12,14-20,23H,3-4,13,21-22H2,1-2H3,(H,32,33).
What are the key properties of N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide?
N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide has a molecular weight of 451.61 g/mol, XLogP of 7.64, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-5-(phenylmethoxymethyl)phenyl]-2-naphthalen-1-ylpropanamide is sourced from PubChem (CID 142214275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).