(2,5-dimethylphenyl)methylcarbamic acid

C10H13NO2 — CID 67570724

IUPAC(2,5-dimethylphenyl)methylcarbamic acid
SMILESCc1ccc(C)c(CNC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-3-4-8(2)9(5-7)6-11-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyDOIIQZVFKJPMFJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.07
Rot. Bonds2

About (2,5-dimethylphenyl)methylcarbamic acid

(2,5-dimethylphenyl)methylcarbamic acid (PubChem CID 67570724) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methylcarbamic acid
PubChem CID67570724
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2,5-dimethylphenyl)methylcarbamic acid
SMILESCc1ccc(C)c(CNC(=O)O)c1
InChIInChI=1S/C10H13NO2/c1-7-3-4-8(2)9(5-7)6-11-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyDOIIQZVFKJPMFJ-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
1-amino-3-[(2,5-dimethylphenyl)methyl]urea
CID 115192596
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
3-bromo-N-[(2,5-dimethylphenyl)methyl]propanamide
CID 82109130
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
2-[(2,5-dimethylphenyl)methylcarbamoylamino]pentanoic acid
CID 60707388
4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
5-[(2,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219012
N-[(2,5-dimethylphenyl)methyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72916632
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methylcarbamic acid?
The IUPAC name of (2,5-dimethylphenyl)methylcarbamic acid (CID 67570724) is (2,5-dimethylphenyl)methylcarbamic acid.
What is the SMILES notation for (2,5-dimethylphenyl)methylcarbamic acid?
The canonical SMILES for (2,5-dimethylphenyl)methylcarbamic acid is Cc1ccc(C)c(CNC(=O)O)c1.
What is the InChIKey of (2,5-dimethylphenyl)methylcarbamic acid?
The InChIKey is DOIIQZVFKJPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-4-8(2)9(5-7)6-11-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of (2,5-dimethylphenyl)methylcarbamic acid?
(2,5-dimethylphenyl)methylcarbamic acid has a molecular weight of 179.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methylcarbamic acid is sourced from PubChem (CID 67570724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).