(4-butylphenyl)methylcarbamic acid

C12H17NO2 — CID 22507604

IUPAC(4-butylphenyl)methylcarbamic acid
SMILESCCCCc1ccc(CNC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-13-12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
InChIKeyVAWMIHDWBHSVNG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.80
Rot. Bonds5

About (4-butylphenyl)methylcarbamic acid

(4-butylphenyl)methylcarbamic acid (PubChem CID 22507604) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4-butylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-butylphenyl)methylcarbamic acid
PubChem CID22507604
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4-butylphenyl)methylcarbamic acid
SMILESCCCCc1ccc(CNC(=O)O)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-13-12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15)
InChIKeyVAWMIHDWBHSVNG-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-butylphenyl)methylamino]acetic acid
CID 16658344
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
2-(benzylamino)-N-(4-butylphenyl)-2-sulfanylideneacetamide
CID 4005659
butylbenzene;carbonic acid
CID 158278492
4-[[[2-(4-butylphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46422120
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
3-oxo-3-[(4-propylphenyl)methylamino]propanoic acid
CID 115163381
4-butylphenol;propanoic acid
CID 70308169
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
2-bromo-2-(4-butylphenyl)acetic acid
CID 122539824
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)methylcarbamic acid?
The IUPAC name of (4-butylphenyl)methylcarbamic acid (CID 22507604) is (4-butylphenyl)methylcarbamic acid.
What is the SMILES notation for (4-butylphenyl)methylcarbamic acid?
The canonical SMILES for (4-butylphenyl)methylcarbamic acid is CCCCc1ccc(CNC(=O)O)cc1.
What is the InChIKey of (4-butylphenyl)methylcarbamic acid?
The InChIKey is VAWMIHDWBHSVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-13-12(14)15/h5-8,13H,2-4,9H2,1H3,(H,14,15).
What are the key properties of (4-butylphenyl)methylcarbamic acid?
(4-butylphenyl)methylcarbamic acid has a molecular weight of 207.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)methylcarbamic acid is sourced from PubChem (CID 22507604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).