methyl(1-phenylethyl)carbamic acid

C10H13NO2 — CID 67062794

IUPACmethyl(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(11(2)10(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyICPXZIVBKSIZMT-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.36
Rot. Bonds2

About methyl(1-phenylethyl)carbamic acid

methyl(1-phenylethyl)carbamic acid (PubChem CID 67062794) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methyl(1-phenylethyl)carbamic acid.

Molecular Properties

Compound Namemethyl(1-phenylethyl)carbamic acid
PubChem CID67062794
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethyl(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C10H13NO2/c1-8(11(2)10(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKeyICPXZIVBKSIZMT-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
fluoro(1-phenylethyl)carbamic acid
CID 152621646
(2-fluoro-1-phenylpropyl)-methylcarbamic acid
CID 57373616
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223

Frequently Asked Questions

What is the IUPAC name of methyl(1-phenylethyl)carbamic acid?
The IUPAC name of methyl(1-phenylethyl)carbamic acid (CID 67062794) is methyl(1-phenylethyl)carbamic acid.
What is the SMILES notation for methyl(1-phenylethyl)carbamic acid?
The canonical SMILES for methyl(1-phenylethyl)carbamic acid is CC(c1ccccc1)N(C)C(=O)O.
What is the InChIKey of methyl(1-phenylethyl)carbamic acid?
The InChIKey is ICPXZIVBKSIZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(11(2)10(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13).
What are the key properties of methyl(1-phenylethyl)carbamic acid?
methyl(1-phenylethyl)carbamic acid has a molecular weight of 179.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1-phenylethyl)carbamic acid is sourced from PubChem (CID 67062794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).