(4-aminophenyl) N-butylcarbamate

C11H16N2O2 — CID 126552960

IUPAC(4-aminophenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-8-13-11(14)15-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyWGFVGZWPZOOJFT-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds4

About (4-aminophenyl) N-butylcarbamate

(4-aminophenyl) N-butylcarbamate (PubChem CID 126552960) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-aminophenyl) N-butylcarbamate.

Molecular Properties

Compound Name(4-aminophenyl) N-butylcarbamate
PubChem CID126552960
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4-aminophenyl) N-butylcarbamate
SMILESCCCCNC(=O)Oc1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-2-3-8-13-11(14)15-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyWGFVGZWPZOOJFT-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
[4-[[3,5-bis[[4-(butylcarbamoyloxy)phenyl]methyl]phenyl]methyl]phenyl] N-butylcarbamate
CID 101189990
(4-isothiocyanatophenyl) N-butylcarbamate
CID 21489009
methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
(2-amino-6-methylphenyl) N-butylcarbamate
CID 91044635
1-(4-aminophenyl)-3-butylurea
CID 28785616
(4-aminophenyl) hexadecanoate
CID 12781238
(4-aminophenyl) 8-[(4-aminophenoxy)carbonylamino]octanoate;(4-aminophenyl) N-[4-[4-[(4-aminophenoxy)carbonylamino]phenoxy]phenyl]carbamate
CID 163996979

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) N-butylcarbamate?
The IUPAC name of (4-aminophenyl) N-butylcarbamate (CID 126552960) is (4-aminophenyl) N-butylcarbamate.
What is the SMILES notation for (4-aminophenyl) N-butylcarbamate?
The canonical SMILES for (4-aminophenyl) N-butylcarbamate is CCCCNC(=O)Oc1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl) N-butylcarbamate?
The InChIKey is WGFVGZWPZOOJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-8-13-11(14)15-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H,13,14).
What are the key properties of (4-aminophenyl) N-butylcarbamate?
(4-aminophenyl) N-butylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) N-butylcarbamate is sourced from PubChem (CID 126552960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).