1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea

C23H18N4O3 — CID 136829549

IUPAC1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C23H18N4O3/c28-21-11-9-15-5-1-3-7-17(15)19(21)13-24-26-23(30)27-25-14-20-18-8-4-2-6-16(18)10-12-22(20)29/h1-14,28-29H,(H2,26,27,30)/b24-13-,25-14-
InChIKeyNZONBJBNHBVJMR-YQTKFLBZSA-N
MW398.42 g/mol
LogP4.07
Rot. Bonds4

About 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea

1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea (PubChem CID 136829549) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
PubChem CID136829549
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C23H18N4O3/c28-21-11-9-15-5-1-3-7-17(15)19(21)13-24-26-23(30)27-25-14-20-18-8-4-2-6-16(18)10-12-22(20)29/h1-14,28-29H,(H2,26,27,30)/b24-13-,25-14-
InChIKeyNZONBJBNHBVJMR-YQTKFLBZSA-N
XLogP4.07
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea (CID 136829549) is 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea is O=C(N/N=C\c1c(O)ccc2ccccc12)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
The InChIKey is NZONBJBNHBVJMR-YQTKFLBZSA-N. The full InChI is InChI=1S/C23H18N4O3/c28-21-11-9-15-5-1-3-7-17(15)19(21)13-24-26-23(30)27-25-14-20-18-8-4-2-6-16(18)10-12-22(20)29/h1-14,28-29H,(H2,26,27,30)/b24-13-,25-14-.
What are the key properties of 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea?
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea has a molecular weight of 398.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea is sourced from PubChem (CID 136829549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).