4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide

C18H20N2O4 — CID 96528991

IUPAC4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H20N2O4/c1-20(2)18(22)11-6-7-14(16(9-11)23-3)19-17(21)13-10-12(13)15-5-4-8-24-15/h4-9,12-13H,10H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyGDKUPGMNGYBBCK-CHWSQXEVSA-N
MW328.37 g/mol
LogP2.73
Rot. Bonds5

About 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide

4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 96528991) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide
PubChem CID96528991
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C18H20N2O4/c1-20(2)18(22)11-6-7-14(16(9-11)23-3)19-17(21)13-10-12(13)15-5-4-8-24-15/h4-9,12-13H,10H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyGDKUPGMNGYBBCK-CHWSQXEVSA-N
XLogP2.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide with MolForge

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Related Compounds

methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
N-[2-(dimethylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449970
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95178804
(3,4-dimethoxyphenyl) 2-(furan-2-yl)cyclopropane-1-carboxylate
CID 71987439
2-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86851473
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide (CID 96528991) is 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide is COc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is GDKUPGMNGYBBCK-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(2)18(22)11-6-7-14(16(9-11)23-3)19-17(21)13-10-12(13)15-5-4-8-24-15/h4-9,12-13H,10H2,1-3H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide?
4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 96528991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).