N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide

C20H26N2O4 — CID 40882664

IUPACN-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C20H26N2O4/c1-13-9-16(13)18-7-6-15(26-18)11-22(2)12-20(23)21-17-10-14(24-3)5-8-19(17)25-4/h5-8,10,13,16H,9,11-12H2,1-4H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyDVVSAZSMNAICQA-CZUORRHYSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide

N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide (PubChem CID 40882664) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
PubChem CID40882664
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C20H26N2O4/c1-13-9-16(13)18-7-6-15(26-18)11-22(2)12-20(23)21-17-10-14(24-3)5-8-19(17)25-4/h5-8,10,13,16H,9,11-12H2,1-4H3,(H,21,23)/t13-,16-/m1/s1
InChIKeyDVVSAZSMNAICQA-CZUORRHYSA-N
XLogP3.49
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide with MolForge

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Related Compounds

2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43192907
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 31379941
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
N,N-dimethyl-4-[[2-[methyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]amino]acetyl]amino]benzamide
CID 17403292
2-[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 41416992
2-[cyclopropyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37380628
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8692101
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8010854
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide (CID 40882664) is N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide is COc1ccc(OC)c(NC(=O)CN(C)Cc2ccc([C@@H]3C[C@H]3C)o2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
The InChIKey is DVVSAZSMNAICQA-CZUORRHYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-9-16(13)18-7-6-15(26-18)11-22(2)12-20(23)21-17-10-14(24-3)5-8-19(17)25-4/h5-8,10,13,16H,9,11-12H2,1-4H3,(H,21,23)/t13-,16-/m1/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide?
N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 40882664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).