tert-butyl N-(4-phenylbutyl)carbamate

C15H23NO2 — CID 15449579

IUPACtert-butyl N-(4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,16,17)
InChIKeyBTVSVROCBMADMI-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl N-(4-phenylbutyl)carbamate

tert-butyl N-(4-phenylbutyl)carbamate (PubChem CID 15449579) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-phenylbutyl)carbamate
PubChem CID15449579
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl N-(4-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,16,17)
InChIKeyBTVSVROCBMADMI-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
Santacruzamate A
CID 72946782
Ethyl benzylcarbamate
CID 75801
tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 6998013
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
ethyl N-(2-phenylethyl)carbamate
CID 247630
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
methyl N-benzylcarbamate
CID 232620
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-phenylbutyl)carbamate (CID 15449579) is tert-butyl N-(4-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-phenylbutyl)carbamate is CC(C)(C)OC(=O)NCCCCc1ccccc1.
What is the InChIKey of tert-butyl N-(4-phenylbutyl)carbamate?
The InChIKey is BTVSVROCBMADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)18-14(17)16-12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(4-phenylbutyl)carbamate?
tert-butyl N-(4-phenylbutyl)carbamate has a molecular weight of 249.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 15449579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).