N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide

C28H34N2O6 — CID 3179033

IUPACN-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCCOc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O6/c1-7-35-21-13-10-19(11-14-21)25(26(31)29-28(2,3)4)30(18-22-9-8-16-36-22)27(32)20-12-15-23(33-5)24(17-20)34-6/h8-17,25H,7,18H2,1-6H3,(H,29,31)
InChIKeyQSBKCBGACLHVAK-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.99
Rot. Bonds10

About N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide

N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 3179033) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID3179033
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC NameN-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
SMILESCCOc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H34N2O6/c1-7-35-21-13-10-19(11-14-21)25(26(31)29-28(2,3)4)30(18-22-9-8-16-36-22)27(32)20-12-15-23(33-5)24(17-20)34-6/h8-17,25H,7,18H2,1-6H3,(H,29,31)
InChIKeyQSBKCBGACLHVAK-UHFFFAOYSA-N
XLogP4.99
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 649047
N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 25447123
4-amino-5-N-[(1S)-2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 40581204
(2S)-N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-methoxyphenyl)acetamide
CID 25310787
N-[(1S)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)thiadiazole-4-carboxamide
CID 25411302
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033
N-tert-butyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]hexanamide
CID 3178787
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 3196871
N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3191414
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 133238575
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N'-(furan-2-ylmethyl)-N'-[(1S)-1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 40819228

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide (CID 3179033) is N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide is CCOc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is QSBKCBGACLHVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-7-35-21-13-10-19(11-14-21)25(26(31)29-28(2,3)4)30(18-22-9-8-16-36-22)27(32)20-12-15-23(33-5)24(17-20)34-6/h8-17,25H,7,18H2,1-6H3,(H,29,31).
What are the key properties of N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide?
N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 494.59 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 3179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).