N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide

C16H19NO5 — CID 121145514

IUPACN-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(OC)c2ccco2)c1OC
InChIInChI=1S/C16H19NO5/c1-19-13-7-4-6-11(15(13)21-3)16(18)17-10-14(20-2)12-8-5-9-22-12/h4-9,14H,10H2,1-3H3,(H,17,18)
InChIKeyDUFVZGKLZRTDFQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide

N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide (PubChem CID 121145514) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
PubChem CID121145514
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(OC)c2ccco2)c1OC
InChIInChI=1S/C16H19NO5/c1-19-13-7-4-6-11(15(13)21-3)16(18)17-10-14(20-2)12-8-5-9-22-12/h4-9,14H,10H2,1-3H3,(H,17,18)
InChIKeyDUFVZGKLZRTDFQ-UHFFFAOYSA-N
XLogP2.41
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
CID 94813161
2-ethoxy-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145492
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
CID 121145445
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
2,3,4-trimethoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598793

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide (CID 121145514) is N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(OC)c2ccco2)c1OC.
What is the InChIKey of N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide?
The InChIKey is DUFVZGKLZRTDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-19-13-7-4-6-11(15(13)21-3)16(18)17-10-14(20-2)12-8-5-9-22-12/h4-9,14H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide?
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide has a molecular weight of 305.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 121145514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).