(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide

C22H22N2O3 — CID 9395177

IUPAC(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C22H22N2O3/c1-14-11-20(14)21-10-9-19(27-21)13-23-24-22(25)15(2)26-18-8-7-16-5-3-4-6-17(16)12-18/h3-10,12-15,20H,11H2,1-2H3,(H,24,25)/b23-13-/t14-,15+,20+/m0/s1
InChIKeyCANQFBDAAMTOSC-XEGPXUGZSA-N
MW362.43 g/mol
LogP4.47
Rot. Bonds6

About (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide

(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 9395177) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID9395177
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C22H22N2O3/c1-14-11-20(14)21-10-9-19(27-21)13-23-24-22(25)15(2)26-18-8-7-16-5-3-4-6-17(16)12-18/h3-10,12-15,20H,11H2,1-2H3,(H,24,25)/b23-13-/t14-,15+,20+/m0/s1
InChIKeyCANQFBDAAMTOSC-XEGPXUGZSA-N
XLogP4.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.47
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

(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
CID 11940670
2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
CID 3920293
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
CID 9398347
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 9395177) is (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide is C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1ccc([C@@H]2C[C@@H]2C)o1.
What is the InChIKey of (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is CANQFBDAAMTOSC-XEGPXUGZSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-11-20(14)21-10-9-19(27-21)13-23-24-22(25)15(2)26-18-8-7-16-5-3-4-6-17(16)12-18/h3-10,12-15,20H,11H2,1-2H3,(H,24,25)/b23-13-/t14-,15+,20+/m0/s1.
What are the key properties of (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 362.43 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 9395177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).