(2-butylphenyl)-methylcarbamic acid

C12H17NO2 — CID 57194702

IUPAC(2-butylphenyl)-methylcarbamic acid
SMILESCCCCc1ccccc1N(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13(2)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBEJGXNRYGBSXKC-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.14
Rot. Bonds4

About (2-butylphenyl)-methylcarbamic acid

(2-butylphenyl)-methylcarbamic acid (PubChem CID 57194702) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2-butylphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-butylphenyl)-methylcarbamic acid
PubChem CID57194702
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2-butylphenyl)-methylcarbamic acid
SMILESCCCCc1ccccc1N(C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13(2)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBEJGXNRYGBSXKC-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-butylphenyl)-methylcarbamic acid?
The IUPAC name of (2-butylphenyl)-methylcarbamic acid (CID 57194702) is (2-butylphenyl)-methylcarbamic acid.
What is the SMILES notation for (2-butylphenyl)-methylcarbamic acid?
The canonical SMILES for (2-butylphenyl)-methylcarbamic acid is CCCCc1ccccc1N(C)C(=O)O.
What is the InChIKey of (2-butylphenyl)-methylcarbamic acid?
The InChIKey is BEJGXNRYGBSXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13(2)12(14)15/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of (2-butylphenyl)-methylcarbamic acid?
(2-butylphenyl)-methylcarbamic acid has a molecular weight of 207.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylphenyl)-methylcarbamic acid is sourced from PubChem (CID 57194702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).