2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

C15H18N2O4 — CID 43526528

IUPAC2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(N)c(C(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17(9-10-5-4-6-21-10)15(18)11-7-13(19-2)14(20-3)8-12(11)16/h4-8H,9,16H2,1-3H3
InChIKeyFCDMVRJLFCTAKW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (PubChem CID 43526528) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
PubChem CID43526528
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(N)c(C(=O)N(C)Cc2ccco2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17(9-10-5-4-6-21-10)15(18)11-7-13(19-2)14(20-3)8-12(11)16/h4-8H,9,16H2,1-3H3
InChIKeyFCDMVRJLFCTAKW-UHFFFAOYSA-N
XLogP2.15
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 25469575
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583235

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (CID 43526528) is 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is COc1cc(N)c(C(=O)N(C)Cc2ccco2)cc1OC.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is FCDMVRJLFCTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17(9-10-5-4-6-21-10)15(18)11-7-13(19-2)14(20-3)8-12(11)16/h4-8H,9,16H2,1-3H3.
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 290.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 43526528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).