3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide

C29H26N2O3 — CID 11633785

IUPAC3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide
SMILESCc1ccc(O)c(C(=O)Nc2cc3ccccc3cc2C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C29H26N2O3/c1-18-13-14-27(32)24(15-18)29(34)31-26-17-21-9-3-2-8-20(21)16-23(26)28(33)30-25-12-6-10-19-7-4-5-11-22(19)25/h2-5,7-9,11,13-17,25,32H,6,10,12H2,1H3,(H,30,33)(H,31,34)
InChIKeyQBISQRBGOKUYPC-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.91
Rot. Bonds4

About 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide

3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide (PubChem CID 11633785) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide
PubChem CID11633785
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide
SMILESCc1ccc(O)c(C(=O)Nc2cc3ccccc3cc2C(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C29H26N2O3/c1-18-13-14-27(32)24(15-18)29(34)31-26-17-21-9-3-2-8-20(21)16-23(26)28(33)30-25-12-6-10-19-7-4-5-11-22(19)25/h2-5,7-9,11,13-17,25,32H,6,10,12H2,1H3,(H,30,33)(H,31,34)
InChIKeyQBISQRBGOKUYPC-UHFFFAOYSA-N
XLogP5.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891387
N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide (CID 11633785) is 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide is Cc1ccc(O)c(C(=O)Nc2cc3ccccc3cc2C(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide?
The InChIKey is QBISQRBGOKUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-18-13-14-27(32)24(15-18)29(34)31-26-17-21-9-3-2-8-20(21)16-23(26)28(33)30-25-12-6-10-19-7-4-5-11-22(19)25/h2-5,7-9,11,13-17,25,32H,6,10,12H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide?
3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 5.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 11633785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).