benzene;methyl(propan-2-yl)carbamic acid

C11H17NO2 — CID 174351923

IUPACbenzene;methyl(propan-2-yl)carbamic acid
SMILESCC(C)N(C)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6(3)5(7)8/h1-6H;4H,1-3H3,(H,7,8)
InChIKeyOTMXAZXPSSYGCC-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.69
Rot. Bonds1

About benzene;methyl(propan-2-yl)carbamic acid

benzene;methyl(propan-2-yl)carbamic acid (PubChem CID 174351923) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is benzene;methyl(propan-2-yl)carbamic acid.

Molecular Properties

Compound Namebenzene;methyl(propan-2-yl)carbamic acid
PubChem CID174351923
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namebenzene;methyl(propan-2-yl)carbamic acid
SMILESCC(C)N(C)C(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6(3)5(7)8/h1-6H;4H,1-3H3,(H,7,8)
InChIKeyOTMXAZXPSSYGCC-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzene;methyl(propan-2-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl(1-phenylethyl)carbamic acid
CID 67062794
(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
2-[methyl(propan-2-yl)amino]prop-2-enoic acid
CID 174803803
methyl(propan-2-yl)carbamothioic S-acid
CID 21387845
N-methyl-N-propan-2-ylcarbamoyl bromide
CID 115193360
[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
CID 68805705
(2-fluoro-1-phenylpropyl)-methylcarbamic acid
CID 57373616
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
S-methyl N-methyl-N-propan-2-ylcarbamothioate
CID 139377441
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 75511591
3-amino-N-methyl-N-propan-2-ylpropanamide
CID 16783725

Frequently Asked Questions

What is the IUPAC name of benzene;methyl(propan-2-yl)carbamic acid?
The IUPAC name of benzene;methyl(propan-2-yl)carbamic acid (CID 174351923) is benzene;methyl(propan-2-yl)carbamic acid.
What is the SMILES notation for benzene;methyl(propan-2-yl)carbamic acid?
The canonical SMILES for benzene;methyl(propan-2-yl)carbamic acid is CC(C)N(C)C(=O)O.c1ccccc1.
What is the InChIKey of benzene;methyl(propan-2-yl)carbamic acid?
The InChIKey is OTMXAZXPSSYGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO2/c1-2-4-6-5-3-1;1-4(2)6(3)5(7)8/h1-6H;4H,1-3H3,(H,7,8).
What are the key properties of benzene;methyl(propan-2-yl)carbamic acid?
benzene;methyl(propan-2-yl)carbamic acid has a molecular weight of 195.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methyl(propan-2-yl)carbamic acid is sourced from PubChem (CID 174351923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).