3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide

C18H20N2O4 — CID 9391704

IUPAC3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-11-8-14(11)15-7-5-13(24-15)10-19-20-18(21)12-4-6-16(22-2)17(9-12)23-3/h4-7,9-11,14H,8H2,1-3H3,(H,20,21)/b19-10-/t11-,14-/m0/s1
InChIKeyYBKGDGBXESCWRF-LGUYXWDHSA-N
MW328.37 g/mol
LogP3.18
Rot. Bonds6

About 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide

3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide (PubChem CID 9391704) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
PubChem CID9391704
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-11-8-14(11)15-7-5-13(24-15)10-19-20-18(21)12-4-6-16(22-2)17(9-12)23-3/h4-7,9-11,14H,8H2,1-3H3,(H,20,21)/b19-10-/t11-,14-/m0/s1
InChIKeyYBKGDGBXESCWRF-LGUYXWDHSA-N
XLogP3.18
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9396092
3-methoxy-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9396622
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 9391848
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-chloro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-sulfamoylbenzamide
CID 9395667
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
4-amino-3,5,6-trichloro-N-[(E)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]pyridin-1-ium-2-carboxamide
CID 135590406
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-4-iodo-3-methoxybenzamide
CID 91991416

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide (CID 9391704) is 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
The InChIKey is YBKGDGBXESCWRF-LGUYXWDHSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-14(11)15-7-5-13(24-15)10-19-20-18(21)12-4-6-16(22-2)17(9-12)23-3/h4-7,9-11,14H,8H2,1-3H3,(H,20,21)/b19-10-/t11-,14-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide?
3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide has a molecular weight of 328.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 9391704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).