N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide

C19H18N2O3 — CID 2852741

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2cccc3ccccc23)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22)
InChIKeyCSKMXRSMBUSJBD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.66
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide

N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide (PubChem CID 2852741) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
PubChem CID2852741
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2cccc3ccccc23)o1
InChIInChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22)
InChIKeyCSKMXRSMBUSJBD-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.66
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

2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 3364097
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
(2S)-2-naphthalen-1-yloxy-N-[(5-nitrothiophen-2-yl)methylideneamino]propanamide
CID 129439552
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
[2-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 45055338
(2S)-2-(2,3-dimethylphenoxy)-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]propanamide
CID 11940670

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide (CID 2852741) is N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide is Cc1ccc(C=NNC(=O)C(C)Oc2cccc3ccccc23)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
The InChIKey is CSKMXRSMBUSJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-10-11-16(23-13)12-20-21-19(22)14(2)24-18-9-5-7-15-6-3-4-8-17(15)18/h3-12,14H,1-2H3,(H,21,22).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide?
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide has a molecular weight of 322.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 2852741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).