N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide

C20H25NO6 — CID 121131308

IUPACN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)C2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H25NO6/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21(13-16-5-4-8-27-16)15-6-9-26-10-7-15/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3
InChIKeyXIOCDENCIGBDPO-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.13
Rot. Bonds7

About N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide

N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide (PubChem CID 121131308) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
PubChem CID121131308
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide
SMILESCOc1cc(C(=O)N(Cc2ccco2)C2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H25NO6/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21(13-16-5-4-8-27-16)15-6-9-26-10-7-15/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3
InChIKeyXIOCDENCIGBDPO-UHFFFAOYSA-N
XLogP3.13
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2,2-dimethyl-N-(oxan-4-yl)propanamide
CID 121131278
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
N-(furan-2-ylmethyl)-4-methoxy-N-(1-methylpiperidin-4-yl)-3-phenylbenzamide
CID 86873695
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
CID 71801534
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide (CID 121131308) is N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide is COc1cc(C(=O)N(Cc2ccco2)C2CCOCC2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide?
The InChIKey is XIOCDENCIGBDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21(13-16-5-4-8-27-16)15-6-9-26-10-7-15/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide?
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide has a molecular weight of 375.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 121131308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).