3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

C28H30N2O7 — CID 3257798

IUPAC3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1cc2c(cc1NC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C)oc1ccccc12
InChIInChI=1S/C28H30N2O7/c1-15(2)25(30-27(31)16-11-23(34-4)26(36-6)24(12-16)35-5)28(32)29-19-14-21-18(13-22(19)33-3)17-9-7-8-10-20(17)37-21/h7-15,25H,1-6H3,(H,29,32)(H,30,31)
InChIKeyIUUIIWOVTSRTHA-UHFFFAOYSA-N
MW506.56 g/mol
LogP5.01
Rot. Bonds9

About 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide

3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 3257798) has the molecular formula C28H30N2O7 and a molecular weight of 506.56 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID3257798
Molecular FormulaC28H30N2O7
Molecular Weight506.56 g/mol
Exact Mass506.21
IUPAC Name3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1cc2c(cc1NC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C)oc1ccccc12
InChIInChI=1S/C28H30N2O7/c1-15(2)25(30-27(31)16-11-23(34-4)26(36-6)24(12-16)35-5)28(32)29-19-14-21-18(13-22(19)33-3)17-9-7-8-10-20(17)37-21/h7-15,25H,1-6H3,(H,29,32)(H,30,31)
InChIKeyIUUIIWOVTSRTHA-UHFFFAOYSA-N
XLogP5.01
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 5004378
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8920314
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 3257798) is 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1cc2c(cc1NC(=O)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(C)C)oc1ccccc12.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is IUUIIWOVTSRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O7/c1-15(2)25(30-27(31)16-11-23(34-4)26(36-6)24(12-16)35-5)28(32)29-19-14-21-18(13-22(19)33-3)17-9-7-8-10-20(17)37-21/h7-15,25H,1-6H3,(H,29,32)(H,30,31).
What are the key properties of 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide?
3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 506.56 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[(2-methoxydibenzofuran-3-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).