1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea

C15H18N2O3 — CID 110894111

IUPAC1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCCO)ccc2c1
InChIInChI=1S/C15H18N2O3/c1-20-14-5-4-12-8-11(2-3-13(12)9-14)10-17-15(19)16-6-7-18/h2-5,8-9,18H,6-7,10H2,1H3,(H2,16,17,19)
InChIKeyPQYWIUSWCVESKB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.64
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea

1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 110894111) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID110894111
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCCO)ccc2c1
InChIInChI=1S/C15H18N2O3/c1-20-14-5-4-12-8-11(2-3-13(12)9-14)10-17-15(19)16-6-7-18/h2-5,8-9,18H,6-7,10H2,1H3,(H2,16,17,19)
InChIKeyPQYWIUSWCVESKB-UHFFFAOYSA-N
XLogP1.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826090
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612629
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 110894111) is 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CNC(=O)NCCO)ccc2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is PQYWIUSWCVESKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-14-5-4-12-8-11(2-3-13(12)9-14)10-17-15(19)16-6-7-18/h2-5,8-9,18H,6-7,10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 110894111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).