N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide

C29H35NO5 — CID 21047604

IUPACN-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(Cc3c(C)c(C)c4c(c3C)CCC(C)(C)O4)o2)cc(OC)c1
InChIInChI=1S/C29H35NO5/c1-17-18(2)27-24(10-11-29(4,5)35-27)19(3)25(17)15-21-8-9-26(34-21)28(31)30-16-20-12-22(32-6)14-23(13-20)33-7/h8-9,12-14H,10-11,15-16H2,1-7H3,(H,30,31)
InChIKeyIAGNFULRMHFEQM-UHFFFAOYSA-N
MW477.60 g/mol
LogP5.85
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide

N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide (PubChem CID 21047604) has the molecular formula C29H35NO5 and a molecular weight of 477.60 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide
PubChem CID21047604
Molecular FormulaC29H35NO5
Molecular Weight477.60 g/mol
Exact Mass477.25
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(Cc3c(C)c(C)c4c(c3C)CCC(C)(C)O4)o2)cc(OC)c1
InChIInChI=1S/C29H35NO5/c1-17-18(2)27-24(10-11-29(4,5)35-27)19(3)25(17)15-21-8-9-26(34-21)28(31)30-16-20-12-22(32-6)14-23(13-20)33-7/h8-9,12-14H,10-11,15-16H2,1-7H3,(H,30,31)
InChIKeyIAGNFULRMHFEQM-UHFFFAOYSA-N
XLogP5.85
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]-N-(1-pyridin-4-ylbut-3-enyl)furan-2-carboxamide
CID 21045872
ethyl 2-[[5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate
CID 21046512
ethyl 3-[furan-2-ylmethyl-[5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carbonyl]amino]propanoate
CID 21046482
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1091794
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047104
N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide (CID 21047604) is N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide is COc1cc(CNC(=O)c2ccc(Cc3c(C)c(C)c4c(c3C)CCC(C)(C)O4)o2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide?
The InChIKey is IAGNFULRMHFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO5/c1-17-18(2)27-24(10-11-29(4,5)35-27)19(3)25(17)15-21-8-9-26(34-21)28(31)30-16-20-12-22(32-6)14-23(13-20)33-7/h8-9,12-14H,10-11,15-16H2,1-7H3,(H,30,31).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide has a molecular weight of 477.60 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).