N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide

C18H23N3O5 — CID 41454099

IUPACN'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c(OC)c1
InChIInChI=1S/C18H23N3O5/c1-21(2)14(15-6-5-9-26-15)11-19-17(22)18(23)20-13-8-7-12(24-3)10-16(13)25-4/h5-10,14H,11H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyDPHSFYALXZCGAF-AWEZNQCLSA-N
MW361.40 g/mol
LogP1.65
Rot. Bonds7

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

N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide (PubChem CID 41454099) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
PubChem CID41454099
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c(OC)c1
InChIInChI=1S/C18H23N3O5/c1-21(2)14(15-6-5-9-26-15)11-19-17(22)18(23)20-13-8-7-12(24-3)10-16(13)25-4/h5-10,14H,11H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyDPHSFYALXZCGAF-AWEZNQCLSA-N
XLogP1.65
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 16875570
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 90558176
3-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]prop-2-enamide
CID 76856800
N'-(2,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598245
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide (CID 41454099) is N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide is COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N(C)C)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is DPHSFYALXZCGAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-21(2)14(15-6-5-9-26-15)11-19-17(22)18(23)20-13-8-7-12(24-3)10-16(13)25-4/h5-10,14H,11H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 361.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 41454099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).