(6-methoxynaphthalen-2-yl)methylcarbamic acid

C13H13NO3 — CID 115170918

IUPAC(6-methoxynaphthalen-2-yl)methylcarbamic acid
SMILESCOc1ccc2cc(CNC(=O)O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-17-12-5-4-10-6-9(8-14-13(15)16)2-3-11(10)7-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyGYMIPFWQMSMNMA-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.62
Rot. Bonds3

About (6-methoxynaphthalen-2-yl)methylcarbamic acid

(6-methoxynaphthalen-2-yl)methylcarbamic acid (PubChem CID 115170918) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methylcarbamic acid
PubChem CID115170918
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(6-methoxynaphthalen-2-yl)methylcarbamic acid
SMILESCOc1ccc2cc(CNC(=O)O)ccc2c1
InChIInChI=1S/C13H13NO3/c1-17-12-5-4-10-6-9(8-14-13(15)16)2-3-11(10)7-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyGYMIPFWQMSMNMA-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
N-[2-[(6-methoxynaphthalen-2-yl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 41255483
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46699697
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
4-[(6-methoxynaphthalen-2-yl)methylamino]butanoic acid
CID 60782976

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methylcarbamic acid?
The IUPAC name of (6-methoxynaphthalen-2-yl)methylcarbamic acid (CID 115170918) is (6-methoxynaphthalen-2-yl)methylcarbamic acid.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methylcarbamic acid?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methylcarbamic acid is COc1ccc2cc(CNC(=O)O)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methylcarbamic acid?
The InChIKey is GYMIPFWQMSMNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-12-5-4-10-6-9(8-14-13(15)16)2-3-11(10)7-12/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of (6-methoxynaphthalen-2-yl)methylcarbamic acid?
(6-methoxynaphthalen-2-yl)methylcarbamic acid has a molecular weight of 231.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methylcarbamic acid is sourced from PubChem (CID 115170918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).