(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide

C20H24N2O3 — CID 11940670

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)c1C
InChIInChI=1S/C20H24N2O3/c1-12-6-5-7-18(14(12)3)24-15(4)20(23)22-21-11-16-8-9-19(25-16)17-10-13(17)2/h5-9,11,13,15,17H,10H2,1-4H3,(H,22,23)/b21-11-/t13-,15-,17-/m0/s1
InChIKeyIRYZZNFMKAOVPB-MCPVGDJYSA-N
MW340.42 g/mol
LogP3.94
Rot. Bonds6

About (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide (PubChem CID 11940670) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
PubChem CID11940670
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)c1C
InChIInChI=1S/C20H24N2O3/c1-12-6-5-7-18(14(12)3)24-15(4)20(23)22-21-11-16-8-9-19(25-16)17-10-13(17)2/h5-9,11,13,15,17H,10H2,1-4H3,(H,22,23)/b21-11-/t13-,15-,17-/m0/s1
InChIKeyIRYZZNFMKAOVPB-MCPVGDJYSA-N
XLogP3.94
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.94
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

(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 9395177
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
1-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-propan-2-ylthiourea
CID 9392690
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-methylcyclopropane-1-carbohydrazide
CID 51155331
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propanamide
CID 19244084
N-cycloheptyl-2-(2,3-dimethylphenoxy)propanamide
CID 46771593
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
CID 9398347
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755
2-(3,4-dimethylphenoxy)-N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9393088
2-(2-cyanophenoxy)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]acetamide
CID 9395075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide (CID 11940670) is (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide is Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc([C@H]3C[C@@H]3C)o2)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide?
The InChIKey is IRYZZNFMKAOVPB-MCPVGDJYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-6-5-7-18(14(12)3)24-15(4)20(23)22-21-11-16-8-9-19(25-16)17-10-13(17)2/h5-9,11,13,15,17H,10H2,1-4H3,(H,22,23)/b21-11-/t13-,15-,17-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide has a molecular weight of 340.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide is sourced from PubChem (CID 11940670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).