molecular hydrogen;2-phenylethylcarbamic acid

C9H13NO2 — CID 145072858

IUPACmolecular hydrogen;2-phenylethylcarbamic acid
SMILESO=C(O)NCCc1ccccc1.[H][H]
InChIInChI=1S/C9H11NO2.H2/c11-9(12)10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKeyWDBCEXCRZTZZCG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.74
Rot. Bonds3

About molecular hydrogen;2-phenylethylcarbamic acid

molecular hydrogen;2-phenylethylcarbamic acid (PubChem CID 145072858) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is molecular hydrogen;2-phenylethylcarbamic acid.

Molecular Properties

Compound Namemolecular hydrogen;2-phenylethylcarbamic acid
PubChem CID145072858
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemolecular hydrogen;2-phenylethylcarbamic acid
SMILESO=C(O)NCCc1ccccc1.[H][H]
InChIInChI=1S/C9H11NO2.H2/c11-9(12)10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H
InChIKeyWDBCEXCRZTZZCG-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-phenyloctylcarbamic acid
CID 90271205
2-phenylethylcarbamothioic S-acid
CID 11116669
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
phenyl N-(2-phenylethyl)carbamate
CID 12632743
N-(2-phenylethyl)ethanethioamide
CID 58678856
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2,2,2-trideuterio-N-(2-phenylethyl)acetamide
CID 16656655
2-[3-[3-(hydroxymethyl)phenyl]phenyl]ethylcarbamic acid
CID 138678237
1,1,3-tris(2-phenylethyl)urea
CID 123287811
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-phenylethylcarbamic acid?
The IUPAC name of molecular hydrogen;2-phenylethylcarbamic acid (CID 145072858) is molecular hydrogen;2-phenylethylcarbamic acid.
What is the SMILES notation for molecular hydrogen;2-phenylethylcarbamic acid?
The canonical SMILES for molecular hydrogen;2-phenylethylcarbamic acid is O=C(O)NCCc1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;2-phenylethylcarbamic acid?
The InChIKey is WDBCEXCRZTZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.H2/c11-9(12)10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7H2,(H,11,12);1H.
What are the key properties of molecular hydrogen;2-phenylethylcarbamic acid?
molecular hydrogen;2-phenylethylcarbamic acid has a molecular weight of 167.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-phenylethylcarbamic acid is sourced from PubChem (CID 145072858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).