butyl N-anilinocarbamate

C11H16N2O2 — CID 57279128

IUPACbutyl N-anilinocarbamate
SMILESCCCCOC(=O)NNc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-3-9-15-11(14)13-12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14)
InChIKeyDQLFEJHHMFMOSL-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.54
Rot. Bonds5

About butyl N-anilinocarbamate

butyl N-anilinocarbamate (PubChem CID 57279128) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is butyl N-anilinocarbamate.

Molecular Properties

Compound Namebutyl N-anilinocarbamate
PubChem CID57279128
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namebutyl N-anilinocarbamate
SMILESCCCCOC(=O)NNc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-3-9-15-11(14)13-12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14)
InChIKeyDQLFEJHHMFMOSL-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(phenylsulfamoyl)carbamate
CID 131732175
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
dodecyl N-phenylcarbamate
CID 521818
5-butylnonan-5-yl N-anilinocarbamate
CID 102032688
butyl N-(1-phenylethyl)carbamate
CID 571821
3-(butoxycarbonylamino)benzoic acid
CID 70253445
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
1-butoxy-3-phenylurea
CID 4061845
pentyl N-phenoxycarbamate
CID 175308591
benzyl propanoate;butyl propanoate
CID 19966788
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080

Frequently Asked Questions

What is the IUPAC name of butyl N-anilinocarbamate?
The IUPAC name of butyl N-anilinocarbamate (CID 57279128) is butyl N-anilinocarbamate.
What is the SMILES notation for butyl N-anilinocarbamate?
The canonical SMILES for butyl N-anilinocarbamate is CCCCOC(=O)NNc1ccccc1.
What is the InChIKey of butyl N-anilinocarbamate?
The InChIKey is DQLFEJHHMFMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-9-15-11(14)13-12-10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,13,14).
What are the key properties of butyl N-anilinocarbamate?
butyl N-anilinocarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-anilinocarbamate is sourced from PubChem (CID 57279128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).