N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide

C24H30N2O5 — CID 143771279

IUPACN-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCC)cc3C2)c(O)cc1O
InChIInChI=1S/C24H30N2O5/c1-4-6-9-25(3)23(29)19-12-20(22(28)13-21(19)27)24(30)26-14-16-7-8-18(31-10-5-2)11-17(16)15-26/h7-8,11-13,27-28H,4-6,9-10,14-15H2,1-3H3
InChIKeyYMNYCKDBCSCFRZ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.91
Rot. Bonds8

About N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide

N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide (PubChem CID 143771279) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide
PubChem CID143771279
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide
SMILESCCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCC)cc3C2)c(O)cc1O
InChIInChI=1S/C24H30N2O5/c1-4-6-9-25(3)23(29)19-12-20(22(28)13-21(19)27)24(30)26-14-16-7-8-18(31-10-5-2)11-17(16)15-26/h7-8,11-13,27-28H,4-6,9-10,14-15H2,1-3H3
InChIKeyYMNYCKDBCSCFRZ-UHFFFAOYSA-N
XLogP3.91
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2,4-dihydroxy-N-methyl-5-[5-[3-(methylamino)propoxy]-1,3-dihydroisoindole-2-carbonyl]benzamide
CID 59614091
5-[5-[3-[ethyl(methyl)amino]propoxy]-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 59614069
1-[5-[5-[3-(dipropylamino)propoxy]-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxyphenyl]ethanone
CID 143771227
2,4-dihydroxy-N-methyl-5-[5-[3-(methylamino)propoxy]-1,3-dihydroisoindole-2-carbonyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 59614105
5-[5-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 59614009
N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-[5-(3-piperidin-1-ylpropoxy)-1,3-dihydroisoindole-2-carbonyl]benzamide
CID 59614130
3-butyl-5-[5-[2-(dimethylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxy-N-methylbenzamide
CID 158557147
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554941
N-(furan-2-ylmethyl)-2,4-dihydroxy-N-methyl-5-(5-piperidin-4-yloxy-1,3-dihydroisoindole-2-carbonyl)benzamide
CID 59614113
[5-[3-(dimethylamino)propoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 154431320
2-[[ethylamino-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110048543

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The IUPAC name of N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide (CID 143771279) is N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide.
What is the SMILES notation for N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The canonical SMILES for N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide is CCCCN(C)C(=O)c1cc(C(=O)N2Cc3ccc(OCCC)cc3C2)c(O)cc1O.
What is the InChIKey of N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
The InChIKey is YMNYCKDBCSCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-4-6-9-25(3)23(29)19-12-20(22(28)13-21(19)27)24(30)26-14-16-7-8-18(31-10-5-2)11-17(16)15-26/h7-8,11-13,27-28H,4-6,9-10,14-15H2,1-3H3.
What are the key properties of N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide?
N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide has a molecular weight of 426.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-dihydroxy-N-methyl-5-(5-propoxy-1,3-dihydroisoindole-2-carbonyl)benzamide is sourced from PubChem (CID 143771279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).