1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide

C27H25NO2 — CID 100993738

IUPAC1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
SMILESCc1cc(C)c(-c2c(C(=O)N[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1
InChIKeyPTRJINOIXTWIIL-IBGZPJMESA-N
MW395.50 g/mol
LogP6.32
Rot. Bonds4

About 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide

1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide (PubChem CID 100993738) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
PubChem CID100993738
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
SMILESCc1cc(C)c(-c2c(C(=O)N[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1
InChIInChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1
InChIKeyPTRJINOIXTWIIL-IBGZPJMESA-N
XLogP6.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 625828
1-[2-[[(1S)-1-phenylethyl]carbamoyl]naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 14340492
1-[2-hydroxy-4,6-di(propan-2-yl)phenyl]-N-(1-phenylethyl)naphthalene-2-carboxamide
CID 101018158
3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
CID 11257527
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
CID 166439956
6-[1,6-dihydroxy-3,7-dimethyl-5-(1-phenylethylcarbamoyl)naphthalen-2-yl]-2,3,5-trihydroxy-7-methyl-N-(1-phenylethyl)naphthalene-1-carboxamide
CID 59544859
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzamide
CID 2827646

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide?
The IUPAC name of 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide (CID 100993738) is 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide is Cc1cc(C)c(-c2c(C(=O)N[C@@H](C)c3ccccc3)ccc3ccccc23)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide?
The InChIKey is PTRJINOIXTWIIL-IBGZPJMESA-N. The full InChI is InChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1.
What are the key properties of 1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide?
1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 6.32, 4 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-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 100993738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).