1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea

C21H17N3O4 — CID 135012948

IUPAC1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea
SMILESO=C(N/N=C/c1ccco1)NC(c1ccco1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H17N3O4/c25-17-10-9-14-5-1-2-7-16(14)19(17)20(18-8-4-12-28-18)23-21(26)24-22-13-15-6-3-11-27-15/h1-13,20,25H,(H2,23,24,26)/b22-13+
InChIKeyJAHVRBLVRQLXIG-LPYMAVHISA-N
MW375.38 g/mol
LogP4.15
Rot. Bonds5

About 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea

1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea (PubChem CID 135012948) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea.

Molecular Properties

Compound Name1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea
PubChem CID135012948
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea
SMILESO=C(N/N=C/c1ccco1)NC(c1ccco1)c1c(O)ccc2ccccc12
InChIInChI=1S/C21H17N3O4/c25-17-10-9-14-5-1-2-7-16(14)19(17)20(18-8-4-12-28-18)23-21(26)24-22-13-15-6-3-11-27-15/h1-13,20,25H,(H2,23,24,26)/b22-13+
InChIKeyJAHVRBLVRQLXIG-LPYMAVHISA-N
XLogP4.15
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-hydroxynaphthalen-1-yl)-(5-methylthiophen-2-yl)methyl]-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]urea
CID 135012992
1-[(3-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 135013334
1-[(2-hydroxynaphthalen-1-yl)-(3-nitrophenyl)methyl]-3-[(E)-(3-nitrophenyl)methylideneamino]urea
CID 24873772
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6049004
N-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea?
The IUPAC name of 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea (CID 135012948) is 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea.
What is the SMILES notation for 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea?
The canonical SMILES for 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea is O=C(N/N=C/c1ccco1)NC(c1ccco1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea?
The InChIKey is JAHVRBLVRQLXIG-LPYMAVHISA-N. The full InChI is InChI=1S/C21H17N3O4/c25-17-10-9-14-5-1-2-7-16(14)19(17)20(18-8-4-12-28-18)23-21(26)24-22-13-15-6-3-11-27-15/h1-13,20,25H,(H2,23,24,26)/b22-13+.
What are the key properties of 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea?
1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea has a molecular weight of 375.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl-(2-hydroxynaphthalen-1-yl)methyl]-3-[(E)-furan-2-ylmethylideneamino]urea is sourced from PubChem (CID 135012948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).