(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid

C11H15NO3 — CID 115170937

IUPAC(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
SMILESCOc1ccc(C)cc1CN(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8-4-5-10(15-3)9(6-8)7-12(2)11(13)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCWCWOLCVWVZWRW-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.11
Rot. Bonds3

About (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid

(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid (PubChem CID 115170937) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
PubChem CID115170937
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
SMILESCOc1ccc(C)cc1CN(C)C(=O)O
InChIInChI=1S/C11H15NO3/c1-8-4-5-10(15-3)9(6-8)7-12(2)11(13)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCWCWOLCVWVZWRW-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpropanamide
CID 107903015
3-amino-4-[(2-methoxy-5-methylphenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64896727
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
5-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,4-dimethylpentanamide
CID 82011236
3-(aminomethyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylpentanamide
CID 81087805

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid (CID 115170937) is (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid is COc1ccc(C)cc1CN(C)C(=O)O.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid?
The InChIKey is CWCWOLCVWVZWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-4-5-10(15-3)9(6-8)7-12(2)11(13)14/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid?
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid has a molecular weight of 209.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl-methylcarbamic acid is sourced from PubChem (CID 115170937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).