N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide

C30H30N2O3 — CID 52891651

IUPACN-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C30H30N2O3/c1-19(2)24-14-9-11-21(4)29(24)32-28(33)18-35-27-17-23-13-7-6-12-22(23)16-25(27)30(34)31-26-15-8-5-10-20(26)3/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33)
InChIKeyRVPQNSFTDUMIGF-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.85
Rot. Bonds7

About N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide

N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 52891651) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID52891651
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC NameN-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C30H30N2O3/c1-19(2)24-14-9-11-21(4)29(24)32-28(33)18-35-27-17-23-13-7-6-12-22(23)16-25(27)30(34)31-26-15-8-5-10-20(26)3/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33)
InChIKeyRVPQNSFTDUMIGF-UHFFFAOYSA-N
XLogP6.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893624
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
CID 17453522
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893615
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide (CID 52891651) is N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is RVPQNSFTDUMIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-19(2)24-14-9-11-21(4)29(24)32-28(33)18-35-27-17-23-13-7-6-12-22(23)16-25(27)30(34)31-26-15-8-5-10-20(26)3/h5-17,19H,18H2,1-4H3,(H,31,34)(H,32,33).
What are the key properties of N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide?
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 6.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 52891651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).