[4-(2-methylpropyl)phenyl]carbamic acid

C11H15NO2 — CID 115170610

IUPAC[4-(2-methylpropyl)phenyl]carbamic acid
SMILESCC(C)Cc1ccc(NC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)12-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyDKFOWULMNPFRFJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.97
Rot. Bonds3

About [4-(2-methylpropyl)phenyl]carbamic acid

[4-(2-methylpropyl)phenyl]carbamic acid (PubChem CID 115170610) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]carbamic acid
PubChem CID115170610
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[4-(2-methylpropyl)phenyl]carbamic acid
SMILESCC(C)Cc1ccc(NC(=O)O)cc1
InChIInChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)12-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyDKFOWULMNPFRFJ-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
N-[4-(2-methylpropyl)phenyl]carbamoyl chloride
CID 115194334
[4-(2-methylpropyl)phenyl]carbamothioic S-acid
CID 115169658
methyl 2-[4-(2-methylpropyl)anilino]-2-oxoacetate
CID 115142143
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
[4-[(2S)-2-amino-3-oxobutyl]phenyl]carbamic acid;uranium
CID 157140877
3-amino-2-hydroxy-N-[4-(2-methylpropyl)phenyl]propanamide
CID 115180236
2-cyano-3-methyl-N-[4-(2-methylpropyl)phenyl]butanamide
CID 115188500
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]carbamic acid?
The IUPAC name of [4-(2-methylpropyl)phenyl]carbamic acid (CID 115170610) is [4-(2-methylpropyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]carbamic acid?
The canonical SMILES for [4-(2-methylpropyl)phenyl]carbamic acid is CC(C)Cc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]carbamic acid?
The InChIKey is DKFOWULMNPFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(2)7-9-3-5-10(6-4-9)12-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of [4-(2-methylpropyl)phenyl]carbamic acid?
[4-(2-methylpropyl)phenyl]carbamic acid has a molecular weight of 193.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]carbamic acid is sourced from PubChem (CID 115170610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).