1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea

C26H24N2O3 — CID 42954212

IUPAC1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(c2ccccc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3/c1-31-21-14-11-18(12-15-21)17-27-26(30)28-25(20-8-3-2-4-9-20)24-22-10-6-5-7-19(22)13-16-23(24)29/h2-16,25,29H,17H2,1H3,(H2,27,28,30)
InChIKeyCACYHUIOXCICKM-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.14
Rot. Bonds6

About 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea

1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 42954212) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID42954212
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(c2ccccc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C26H24N2O3/c1-31-21-14-11-18(12-15-21)17-27-26(30)28-25(20-8-3-2-4-9-20)24-22-10-6-5-7-19(22)13-16-23(24)29/h2-16,25,29H,17H2,1H3,(H2,27,28,30)
InChIKeyCACYHUIOXCICKM-UHFFFAOYSA-N
XLogP5.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]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-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400
1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
4-(4-tert-butylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]butanamide
CID 19173596
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea (CID 42954212) is 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NC(c2ccccc2)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is CACYHUIOXCICKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-21-14-11-18(12-15-21)17-27-26(30)28-25(20-8-3-2-4-9-20)24-22-10-6-5-7-19(22)13-16-23(24)29/h2-16,25,29H,17H2,1H3,(H2,27,28,30).
What are the key properties of 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 412.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 42954212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).