N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide

C19H26N2O4 — CID 110882536

IUPACN-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(O)COCc1ccco1
InChIInChI=1S/C19H26N2O4/c1-14-6-4-7-15(2)19(14)20-18(23)11-21(3)10-16(22)12-24-13-17-8-5-9-25-17/h4-9,16,22H,10-13H2,1-3H3,(H,20,23)
InChIKeyOFIUYWNNLCXNQQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.34
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide (PubChem CID 110882536) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide
PubChem CID110882536
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(O)COCc1ccco1
InChIInChI=1S/C19H26N2O4/c1-14-6-4-7-15(2)19(14)20-18(23)11-21(3)10-16(22)12-24-13-17-8-5-9-25-17/h4-9,16,22H,10-13H2,1-3H3,(H,20,23)
InChIKeyOFIUYWNNLCXNQQ-UHFFFAOYSA-N
XLogP2.34
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[ethyl-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]acetamide
CID 4830564
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-3-(4-propanoylphenoxy)propyl]-methylamino]acetamide
CID 78831938
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
(2R)-1-(furan-2-ylmethoxy)-3-[methyl(2-phenoxyethyl)amino]propan-2-ol
CID 2110208
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
1-(furan-2-ylmethoxy)-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
CID 110888306
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide (CID 110882536) is N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(O)COCc1ccco1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide?
The InChIKey is OFIUYWNNLCXNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-6-4-7-15(2)19(14)20-18(23)11-21(3)10-16(22)12-24-13-17-8-5-9-25-17/h4-9,16,22H,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-methylamino]acetamide is sourced from PubChem (CID 110882536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).