tert-butyl N-(1-phenylbutylamino)carbamate

C15H24N2O2 — CID 107236962

IUPACtert-butyl N-(1-phenylbutylamino)carbamate
SMILESCCCC(NNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-5-9-13(12-10-7-6-8-11-12)16-17-14(18)19-15(2,3)4/h6-8,10-11,13,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyAERSLYGENHWOJG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds5

About tert-butyl N-(1-phenylbutylamino)carbamate

tert-butyl N-(1-phenylbutylamino)carbamate (PubChem CID 107236962) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-(1-phenylbutylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylbutylamino)carbamate
PubChem CID107236962
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-(1-phenylbutylamino)carbamate
SMILESCCCC(NNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-5-9-13(12-10-7-6-8-11-12)16-17-14(18)19-15(2,3)4/h6-8,10-11,13,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyAERSLYGENHWOJG-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3,3,3-trifluoro-1-phenylpropyl)amino]carbamate
CID 107236907
tert-butyl N-[1-(4-chlorophenyl)propylamino]carbamate
CID 107237406
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-phenylbutanoate
CID 70546044
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
CID 82719997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylbutylamino)carbamate?
The IUPAC name of tert-butyl N-(1-phenylbutylamino)carbamate (CID 107236962) is tert-butyl N-(1-phenylbutylamino)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylbutylamino)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylbutylamino)carbamate is CCCC(NNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylbutylamino)carbamate?
The InChIKey is AERSLYGENHWOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-9-13(12-10-7-6-8-11-12)16-17-14(18)19-15(2,3)4/h6-8,10-11,13,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-(1-phenylbutylamino)carbamate?
tert-butyl N-(1-phenylbutylamino)carbamate has a molecular weight of 264.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylbutylamino)carbamate is sourced from PubChem (CID 107236962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).