N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C25H23N3O4 — CID 41177653

IUPACN-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(OCc2ccc(/C=N\NC(=O)CNc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-30-19-9-11-20(12-10-19)31-17-22-14-13-21(32-22)15-27-28-25(29)16-26-24-8-4-6-18-5-2-3-7-23(18)24/h2-15,26H,16-17H2,1H3,(H,28,29)/b27-15-
InChIKeyAGUCZTDPTVEWFL-DICXZTSXSA-N
MW429.48 g/mol
LogP4.58
Rot. Bonds9

About N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 41177653) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID41177653
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCOc1ccc(OCc2ccc(/C=N\NC(=O)CNc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C25H23N3O4/c1-30-19-9-11-20(12-10-19)31-17-22-14-13-21(32-22)15-27-28-25(29)16-26-24-8-4-6-18-5-2-3-7-23(18)24/h2-15,26H,16-17H2,1H3,(H,28,29)/b27-15-
InChIKeyAGUCZTDPTVEWFL-DICXZTSXSA-N
XLogP4.58
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 51394008
3-[5-[(Z)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 6302659
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
N-[[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-3-methylthiophene-2-carboxamide
CID 1225303
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837
N-[(3-iodo-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1246283
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 44725851
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 41177653) is N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is COc1ccc(OCc2ccc(/C=N\NC(=O)CNc3cccc4ccccc34)o2)cc1.
What is the InChIKey of N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is AGUCZTDPTVEWFL-DICXZTSXSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-19-9-11-20(12-10-19)31-17-22-14-13-21(32-22)15-27-28-25(29)16-26-24-8-4-6-18-5-2-3-7-23(18)24/h2-15,26H,16-17H2,1H3,(H,28,29)/b27-15-.
What are the key properties of N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 41177653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).