tert-butyl N-[4-(3-aminophenyl)butyl]carbamate

C15H24N2O2 — CID 122523747

IUPACtert-butyl N-[4-(3-aminophenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h6,8-9,11H,4-5,7,10,16H2,1-3H3,(H,17,18)
InChIKeyPSQCDOCVKHLKCX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[4-(3-aminophenyl)butyl]carbamate

tert-butyl N-[4-(3-aminophenyl)butyl]carbamate (PubChem CID 122523747) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[4-(3-aminophenyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-aminophenyl)butyl]carbamate
PubChem CID122523747
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[4-(3-aminophenyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h6,8-9,11H,4-5,7,10,16H2,1-3H3,(H,17,18)
InChIKeyPSQCDOCVKHLKCX-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl N-[3-(5-amino-3-pyridinyl)propyl]carbamate
CID 122510246
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[3-[3-(3-phenylprop-1-ynyl)phenyl]propyl]carbamate
CID 66628868
tert-butyl N-[3-(3-aminophenyl)-2-(2-methoxyphenyl)propyl]carbamate
CID 174734981
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
tert-butyl N-[3-(3-aminophenyl)-2-(3-chlorophenoxy)propyl]carbamate
CID 174734745
tert-butyl N-[3-[2,5-diamino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propyl]carbamate
CID 143983002
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
CID 142596019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-aminophenyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-aminophenyl)butyl]carbamate (CID 122523747) is tert-butyl N-[4-(3-aminophenyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-aminophenyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-aminophenyl)butyl]carbamate is CC(C)(C)OC(=O)NCCCCc1cccc(N)c1.
What is the InChIKey of tert-butyl N-[4-(3-aminophenyl)butyl]carbamate?
The InChIKey is PSQCDOCVKHLKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-10-5-4-7-12-8-6-9-13(16)11-12/h6,8-9,11H,4-5,7,10,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(3-aminophenyl)butyl]carbamate?
tert-butyl N-[4-(3-aminophenyl)butyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-aminophenyl)butyl]carbamate is sourced from PubChem (CID 122523747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).