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

C23H22N2O3 — CID 9391848

IUPACN-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(COc3ccccc3)cc2)o1
InChIInChI=1S/C23H22N2O3/c1-16-13-21(16)22-12-11-20(28-22)14-24-25-23(26)18-9-7-17(8-10-18)15-27-19-5-3-2-4-6-19/h2-12,14,16,21H,13,15H2,1H3,(H,25,26)/b24-14-/t16-,21+/m1/s1
InChIKeyBORBEESKAZWHLK-YRGMBJDASA-N
MW374.44 g/mol
LogP4.75
Rot. Bonds7

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

N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide (PubChem CID 9391848) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
PubChem CID9391848
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(COc3ccccc3)cc2)o1
InChIInChI=1S/C23H22N2O3/c1-16-13-21(16)22-12-11-20(28-22)14-24-25-23(26)18-9-7-17(8-10-18)15-27-19-5-3-2-4-6-19/h2-12,14,16,21H,13,15H2,1H3,(H,25,26)/b24-14-/t16-,21+/m1/s1
InChIKeyBORBEESKAZWHLK-YRGMBJDASA-N
XLogP4.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3,4-dimethoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391704
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9390561
4-ethoxy-3-methoxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9396092
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
2-(4-fluorophenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9395401
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
3-methoxy-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9396622
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 9391598
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide (CID 9391848) is N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide is C[C@@H]1C[C@@H]1c1ccc(/C=N\NC(=O)c2ccc(COc3ccccc3)cc2)o1.
What is the InChIKey of N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
The InChIKey is BORBEESKAZWHLK-YRGMBJDASA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-13-21(16)22-12-11-20(28-22)14-24-25-23(26)18-9-7-17(8-10-18)15-27-19-5-3-2-4-6-19/h2-12,14,16,21H,13,15H2,1H3,(H,25,26)/b24-14-/t16-,21+/m1/s1.
What are the key properties of N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide?
N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 9391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).