benzylcarbamic acid;N,N-dimethylformamide

C11H16N2O3 — CID 175901151

IUPACbenzylcarbamic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(O)NCc1ccccc1
InChIInChI=1S/C8H9NO2.C3H7NO/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3-5/h1-5,9H,6H2,(H,10,11);3H,1-2H3
InChIKeyTWSFQLDUGDJIFY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.16
Rot. Bonds3

About benzylcarbamic acid;N,N-dimethylformamide

benzylcarbamic acid;N,N-dimethylformamide (PubChem CID 175901151) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is benzylcarbamic acid;N,N-dimethylformamide.

Molecular Properties

Compound Namebenzylcarbamic acid;N,N-dimethylformamide
PubChem CID175901151
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namebenzylcarbamic acid;N,N-dimethylformamide
SMILESCN(C)C=O.O=C(O)NCc1ccccc1
InChIInChI=1S/C8H9NO2.C3H7NO/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3-5/h1-5,9H,6H2,(H,10,11);3H,1-2H3
InChIKeyTWSFQLDUGDJIFY-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzylcarbamic acid;N,N-dimethylformamide?
The IUPAC name of benzylcarbamic acid;N,N-dimethylformamide (CID 175901151) is benzylcarbamic acid;N,N-dimethylformamide.
What is the SMILES notation for benzylcarbamic acid;N,N-dimethylformamide?
The canonical SMILES for benzylcarbamic acid;N,N-dimethylformamide is CN(C)C=O.O=C(O)NCc1ccccc1.
What is the InChIKey of benzylcarbamic acid;N,N-dimethylformamide?
The InChIKey is TWSFQLDUGDJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C3H7NO/c10-8(11)9-6-7-4-2-1-3-5-7;1-4(2)3-5/h1-5,9H,6H2,(H,10,11);3H,1-2H3.
What are the key properties of benzylcarbamic acid;N,N-dimethylformamide?
benzylcarbamic acid;N,N-dimethylformamide has a molecular weight of 224.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylcarbamic acid;N,N-dimethylformamide is sourced from PubChem (CID 175901151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).