(3,5-dimethoxyphenyl)methylcarbamic acid

C10H13NO4 — CID 67370524

IUPAC(3,5-dimethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(CNC(=O)O)cc(OC)c1
InChIInChI=1S/C10H13NO4/c1-14-8-3-7(6-11-10(12)13)4-9(5-8)15-2/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyIYKWPVNCPDXWDC-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.47
Rot. Bonds4

About (3,5-dimethoxyphenyl)methylcarbamic acid

(3,5-dimethoxyphenyl)methylcarbamic acid (PubChem CID 67370524) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methylcarbamic acid
PubChem CID67370524
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(3,5-dimethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(CNC(=O)O)cc(OC)c1
InChIInChI=1S/C10H13NO4/c1-14-8-3-7(6-11-10(12)13)4-9(5-8)15-2/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyIYKWPVNCPDXWDC-UHFFFAOYSA-N
XLogP1.47
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
N-[(3-methoxy-5-methylphenyl)methyl]-2-(methylamino)acetamide
CID 120705320
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
(2-hydroxy-4,6-dimethoxyphenyl)methylcarbamic acid
CID 172824668
(2,5-dichlorophenyl) N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 39846904
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methylcarbamic acid?
The IUPAC name of (3,5-dimethoxyphenyl)methylcarbamic acid (CID 67370524) is (3,5-dimethoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (3,5-dimethoxyphenyl)methylcarbamic acid?
The canonical SMILES for (3,5-dimethoxyphenyl)methylcarbamic acid is COc1cc(CNC(=O)O)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methylcarbamic acid?
The InChIKey is IYKWPVNCPDXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-8-3-7(6-11-10(12)13)4-9(5-8)15-2/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of (3,5-dimethoxyphenyl)methylcarbamic acid?
(3,5-dimethoxyphenyl)methylcarbamic acid has a molecular weight of 211.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 67370524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).