[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea

C18H16N2O3 — CID 101497401

IUPAC[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
SMILESNC(=O)NC(c1ccc(O)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3/c19-18(23)20-17(12-5-8-13(21)9-6-12)16-14-4-2-1-3-11(14)7-10-15(16)22/h1-10,17,21-22H,(H3,19,20,23)
InChIKeyJWTFWGXMCIHCOJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds3

About [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea

[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea (PubChem CID 101497401) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
PubChem CID101497401
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
SMILESNC(=O)NC(c1ccc(O)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C18H16N2O3/c19-18(23)20-17(12-5-8-13(21)9-6-12)16-14-4-2-1-3-11(14)7-10-15(16)22/h1-10,17,21-22H,(H3,19,20,23)
InChIKeyJWTFWGXMCIHCOJ-UHFFFAOYSA-N
XLogP3.01
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-(4-nitrophenyl)methyl]acetamide
CID 44556782
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea?
The IUPAC name of [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea (CID 101497401) is [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea is NC(=O)NC(c1ccc(O)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea?
The InChIKey is JWTFWGXMCIHCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-18(23)20-17(12-5-8-13(21)9-6-12)16-14-4-2-1-3-11(14)7-10-15(16)22/h1-10,17,21-22H,(H3,19,20,23).
What are the key properties of [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea?
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea has a molecular weight of 308.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 101497401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).