tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate

C17H28N2O2 — CID 107241116

IUPACtert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
SMILESCCCCNCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-5-6-12-18-13-15(14-10-8-7-9-11-14)19-16(20)21-17(2,3)4/h7-11,15,18H,5-6,12-13H2,1-4H3,(H,19,20)
InChIKeyBYYFRPLPKDQHGZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.64
Rot. Bonds7

About tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate (PubChem CID 107241116) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
PubChem CID107241116
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
SMILESCCCCNCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-5-6-12-18-13-15(14-10-8-7-9-11-14)19-16(20)21-17(2,3)4/h7-11,15,18H,5-6,12-13H2,1-4H3,(H,19,20)
InChIKeyBYYFRPLPKDQHGZ-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
CID 103786410
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate (CID 107241116) is tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate is CCCCNCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate?
The InChIKey is BYYFRPLPKDQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-12-18-13-15(14-10-8-7-9-11-14)19-16(20)21-17(2,3)4/h7-11,15,18H,5-6,12-13H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 107241116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).