1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea

C16H20N2O2 — CID 24612075

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
SMILESCOc1ccc2cc(CNC(=O)NC(C)C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-11(2)18-16(19)17-10-12-4-5-14-9-15(20-3)7-6-13(14)8-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyCWOFHIWPZHBTIW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.06
Rot. Bonds4

About 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea

1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea (PubChem CID 24612075) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
PubChem CID24612075
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
SMILESCOc1ccc2cc(CNC(=O)NC(C)C)ccc2c1
InChIInChI=1S/C16H20N2O2/c1-11(2)18-16(19)17-10-12-4-5-14-9-15(20-3)7-6-13(14)8-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19)
InChIKeyCWOFHIWPZHBTIW-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610
1-[4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]phenyl]-3-propan-2-ylurea
CID 47052745
(2R)-2-[(6-methoxynaphthalen-2-yl)methylcarbamoylamino]-N,N,4-trimethylpentanamide
CID 51957419
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41438087
4-[[2-[(6-methoxynaphthalen-2-yl)methyl]hydrazinyl]methyl]-N-propan-2-ylbenzamide
CID 175213138
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea (CID 24612075) is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea is COc1ccc2cc(CNC(=O)NC(C)C)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea?
The InChIKey is CWOFHIWPZHBTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-16(19)17-10-12-4-5-14-9-15(20-3)7-6-13(14)8-12/h4-9,11H,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea?
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea has a molecular weight of 272.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 24612075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).