butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate

C15H23N3O3 — CID 54332906

IUPACbutyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate
SMILESCCCCOC(=O)Nc1cc(N(CC)CC)ccc1N=O
InChIInChI=1S/C15H23N3O3/c1-4-7-10-21-15(19)16-14-11-12(18(5-2)6-3)8-9-13(14)17-20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)
InChIKeySZPAYAAXFBLAJS-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.28
Rot. Bonds8

About butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate

butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate (PubChem CID 54332906) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate.

Molecular Properties

Compound Namebutyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate
PubChem CID54332906
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namebutyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate
SMILESCCCCOC(=O)Nc1cc(N(CC)CC)ccc1N=O
InChIInChI=1S/C15H23N3O3/c1-4-7-10-21-15(19)16-14-11-12(18(5-2)6-3)8-9-13(14)17-20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19)
InChIKeySZPAYAAXFBLAJS-UHFFFAOYSA-N
XLogP4.28
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate 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

butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
[3-(4-amino-N-ethylanilino)-3-methyliminopropyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 142102341
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
2-(2-hydroxyethylsulfonylmethylsulfonyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23399598
butyl N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]carbamate
CID 154299671
dodecyl N-[4-[7-(diethylamino)-2-oxochromen-3-yl]phenyl]carbamate
CID 10792084
butyl N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)carbamate
CID 175814710
pentyl N-(3,4,5-trifluorophenyl)carbamate
CID 91118977
2-benzylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948513
butyl N-(2-sulfamoylphenyl)carbamate
CID 140550140
octyl N-(2,4-diaminophenyl)carbamate
CID 22315946

Frequently Asked Questions

What is the IUPAC name of butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate?
The IUPAC name of butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate (CID 54332906) is butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate.
What is the SMILES notation for butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate?
The canonical SMILES for butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate is CCCCOC(=O)Nc1cc(N(CC)CC)ccc1N=O.
What is the InChIKey of butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate?
The InChIKey is SZPAYAAXFBLAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-7-10-21-15(19)16-14-11-12(18(5-2)6-3)8-9-13(14)17-20/h8-9,11H,4-7,10H2,1-3H3,(H,16,19).
What are the key properties of butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate?
butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[5-(diethylamino)-2-nitrosophenyl]carbamate is sourced from PubChem (CID 54332906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).