benzyl(diethylamino)carbamic acid

C12H18N2O2 — CID 151208829

IUPACbenzyl(diethylamino)carbamic acid
SMILESCCN(CC)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-3-13(4-2)14(12(15)16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyNJVSNLIGRMAFCH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.42
Rot. Bonds5

About benzyl(diethylamino)carbamic acid

benzyl(diethylamino)carbamic acid (PubChem CID 151208829) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is benzyl(diethylamino)carbamic acid.

Molecular Properties

Compound Namebenzyl(diethylamino)carbamic acid
PubChem CID151208829
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namebenzyl(diethylamino)carbamic acid
SMILESCCN(CC)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-3-13(4-2)14(12(15)16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyNJVSNLIGRMAFCH-UHFFFAOYSA-N
XLogP2.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl(diethylamino)carbamic acid?
The IUPAC name of benzyl(diethylamino)carbamic acid (CID 151208829) is benzyl(diethylamino)carbamic acid.
What is the SMILES notation for benzyl(diethylamino)carbamic acid?
The canonical SMILES for benzyl(diethylamino)carbamic acid is CCN(CC)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl(diethylamino)carbamic acid?
The InChIKey is NJVSNLIGRMAFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13(4-2)14(12(15)16)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of benzyl(diethylamino)carbamic acid?
benzyl(diethylamino)carbamic acid has a molecular weight of 222.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(diethylamino)carbamic acid is sourced from PubChem (CID 151208829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).