2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide

C18H24N2O4 — CID 41453426

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(2)14(15-6-5-9-24-15)12-19-18(21)11-13-7-8-16(22-3)17(10-13)23-4/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyLHKSRXSECWWCER-AWEZNQCLSA-N
MW332.40 g/mol
LogP2.26
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide (PubChem CID 41453426) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
PubChem CID41453426
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-20(2)14(15-6-5-9-24-15)12-19-18(21)11-13-7-8-16(22-3)17(10-13)23-4/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1
InChIKeyLHKSRXSECWWCER-AWEZNQCLSA-N
XLogP2.26
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111241858
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55332179
1-(furan-2-yl)-N'-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 86978923
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide (CID 41453426) is 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?
The InChIKey is LHKSRXSECWWCER-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-20(2)14(15-6-5-9-24-15)12-19-18(21)11-13-7-8-16(22-3)17(10-13)23-4/h5-10,14H,11-12H2,1-4H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 41453426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).