[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate

C26H23NO5 — CID 11539216

IUPAC[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C=CC(C)(COC(=O)c2ccccc2)O3)cc1
InChIInChI=1S/C26H23NO5/c1-26(17-31-25(29)19-6-4-3-5-7-19)15-14-20-16-21(10-13-23(20)32-26)27-24(28)18-8-11-22(30-2)12-9-18/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyHXUNDKYQTRCHFU-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.97
Rot. Bonds6

About [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate (PubChem CID 11539216) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate.

Molecular Properties

Compound Name[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
PubChem CID11539216
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C=CC(C)(COC(=O)c2ccccc2)O3)cc1
InChIInChI=1S/C26H23NO5/c1-26(17-31-25(29)19-6-4-3-5-7-19)15-14-20-16-21(10-13-23(20)32-26)27-24(28)18-8-11-22(30-2)12-9-18/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyHXUNDKYQTRCHFU-UHFFFAOYSA-N
XLogP4.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-6-(phenoxycarbonylamino)chromen-2-yl]methyl acetate
CID 142698891
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(3-methoxy-4-methylphenyl)-2,2-dimethylchromene-6-carboxamide
CID 118199635
N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]benzamide
CID 25212194
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
1-(3,5-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-phenylguanidine
CID 142724919
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The IUPAC name of [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate (CID 11539216) is [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate.
What is the SMILES notation for [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The canonical SMILES for [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate is COc1ccc(C(=O)Nc2ccc3c(c2)C=CC(C)(COC(=O)c2ccccc2)O3)cc1.
What is the InChIKey of [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
The InChIKey is HXUNDKYQTRCHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-26(17-31-25(29)19-6-4-3-5-7-19)15-14-20-16-21(10-13-23(20)32-26)27-24(28)18-8-11-22(30-2)12-9-18/h3-16H,17H2,1-2H3,(H,27,28).
What are the key properties of [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate?
[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate has a molecular weight of 429.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate is sourced from PubChem (CID 11539216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).