(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid

C12H17NO4 — CID 57363242

IUPAC(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid
SMILESCOc1ccc(OC)c(N(C(=O)O)C(C)C)c1
InChIInChI=1S/C12H17NO4/c1-8(2)13(12(14)15)10-7-9(16-3)5-6-11(10)17-4/h5-8H,1-4H3,(H,14,15)
InChIKeyXZRXGJMMEDUFHE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.60
Rot. Bonds4

About (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid

(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid (PubChem CID 57363242) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid
PubChem CID57363242
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid
SMILESCOc1ccc(OC)c(N(C(=O)O)C(C)C)c1
InChIInChI=1S/C12H17NO4/c1-8(2)13(12(14)15)10-7-9(16-3)5-6-11(10)17-4/h5-8H,1-4H3,(H,14,15)
InChIKeyXZRXGJMMEDUFHE-UHFFFAOYSA-N
XLogP2.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 125041871
2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801
2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
CID 133150447
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
2-(N-acetyl-2,5-dimethoxyanilino)-5-propan-2-yloxybenzoic acid
CID 70457820
(E)-4-(2,5-dimethoxy-N-methylanilino)but-2-enoic acid
CID 115236962
1-cyano-N-(2,5-dimethoxyphenyl)-N-methylformamide
CID 115171966
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
dimethyl 2,5-bis(2,5-dimethoxy-N-methylanilino)benzene-1,4-dicarboxylate
CID 21058626

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid?
The IUPAC name of (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid (CID 57363242) is (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid.
What is the SMILES notation for (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid?
The canonical SMILES for (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid is COc1ccc(OC)c(N(C(=O)O)C(C)C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid?
The InChIKey is XZRXGJMMEDUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(2)13(12(14)15)10-7-9(16-3)5-6-11(10)17-4/h5-8H,1-4H3,(H,14,15).
What are the key properties of (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid?
(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid has a molecular weight of 239.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid is sourced from PubChem (CID 57363242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).