3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide

C24H26N2O3 — CID 7893624

IUPAC3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C24H26N2O3/c1-4-17(3)25-23(27)15-29-22-14-19-11-7-6-10-18(19)13-20(22)24(28)26-21-12-8-5-9-16(21)2/h5-14,17H,4,15H2,1-3H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyJAYJLKDZZQDNRN-KRWDZBQOSA-N
MW390.48 g/mol
LogP4.69
Rot. Bonds7

About 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide

3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide (PubChem CID 7893624) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
PubChem CID7893624
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
SMILESCC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1C
InChIInChI=1S/C24H26N2O3/c1-4-17(3)25-23(27)15-29-22-14-19-11-7-6-10-18(19)13-20(22)24(28)26-21-12-8-5-9-16(21)2/h5-14,17H,4,15H2,1-3H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyJAYJLKDZZQDNRN-KRWDZBQOSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
CID 52891651
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
N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 7893620
2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CID 131864598
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 7893632
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
N-butan-2-yl-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 17151213
3-N-butan-2-yl-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051512

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide (CID 7893624) is 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide is CC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1C.
What is the InChIKey of 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is JAYJLKDZZQDNRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-17(3)25-23(27)15-29-22-14-19-11-7-6-10-18(19)13-20(22)24(28)26-21-12-8-5-9-16(21)2/h5-14,17H,4,15H2,1-3H3,(H,25,27)(H,26,28)/t17-/m0/s1.
What are the key properties of 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide?
3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 7893624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).