tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate

C19H32N2O2 — CID 107248482

IUPACtert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
SMILESCCCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-7-13-17(16-11-9-8-10-12-16)21-15(2)14-20-18(22)23-19(3,4)5/h8-12,15,17,21H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyOZOFTYIOUXPUKK-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.42
Rot. Bonds8

About tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate

tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate (PubChem CID 107248482) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
PubChem CID107248482
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
SMILESCCCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-7-13-17(16-11-9-8-10-12-16)21-15(2)14-20-18(22)23-19(3,4)5/h8-12,15,17,21H,6-7,13-14H2,1-5H3,(H,20,22)
InChIKeyOZOFTYIOUXPUKK-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-(1-phenylbutylamino)carbamate
CID 107236962
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate (CID 107248482) is tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate is CCCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate?
The InChIKey is OZOFTYIOUXPUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-7-13-17(16-11-9-8-10-12-16)21-15(2)14-20-18(22)23-19(3,4)5/h8-12,15,17,21H,6-7,13-14H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate?
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate is sourced from PubChem (CID 107248482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).