1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide

C31H33NO2 — CID 101018158

IUPAC1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
SMILESCC(C)c1cc(O)c(-c2c(C(=O)NC(C)c3ccccc3)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C31H33NO2/c1-19(2)24-17-27(20(3)4)30(28(33)18-24)29-25-14-10-9-13-23(25)15-16-26(29)31(34)32-21(5)22-11-7-6-8-12-22/h6-21,33H,1-5H3,(H,32,34)
InChIKeyUENQXGQVNRGZRS-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.95
Rot. Bonds6

About 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide

1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide (PubChem CID 101018158) has the molecular formula C31H33NO2 and a molecular weight of 451.61 g/mol. Its IUPAC name is 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
PubChem CID101018158
Molecular FormulaC31H33NO2
Molecular Weight451.61 g/mol
Exact Mass451.25
IUPAC Name1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
SMILESCC(C)c1cc(O)c(-c2c(C(=O)NC(C)c3ccccc3)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C31H33NO2/c1-19(2)24-17-27(20(3)4)30(28(33)18-24)29-25-14-10-9-13-23(25)15-16-26(29)31(34)32-21(5)22-11-7-6-8-12-22/h6-21,33H,1-5H3,(H,32,34)
InChIKeyUENQXGQVNRGZRS-UHFFFAOYSA-N
XLogP7.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 14340492
1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 625828
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide?
The IUPAC name of 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide (CID 101018158) is 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide is CC(C)c1cc(O)c(-c2c(C(=O)NC(C)c3ccccc3)ccc3ccccc23)c(C(C)C)c1.
What is the InChIKey of 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide?
The InChIKey is UENQXGQVNRGZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO2/c1-19(2)24-17-27(20(3)4)30(28(33)18-24)29-25-14-10-9-13-23(25)15-16-26(29)31(34)32-21(5)22-11-7-6-8-12-22/h6-21,33H,1-5H3,(H,32,34).
What are the key properties of 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide?
1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 7.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 101018158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).