tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate

C19H32N2O2 — CID 107256600

IUPACtert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
SMILESCCCCCNCCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-5-6-10-14-20-15-13-17(16-11-8-7-9-12-16)21-18(22)23-19(2,3)4/h7-9,11-12,17,20H,5-6,10,13-15H2,1-4H3,(H,21,22)
InChIKeyIRZBRFIZXNBVJY-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.42
Rot. Bonds9

About tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate

tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate (PubChem CID 107256600) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
PubChem CID107256600
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
SMILESCCCCCNCCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-5-6-10-14-20-15-13-17(16-11-8-7-9-12-16)21-18(22)23-19(2,3)4/h7-9,11-12,17,20H,5-6,10,13-15H2,1-4H3,(H,21,22)
InChIKeyIRZBRFIZXNBVJY-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
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
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoate
CID 14003425
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-(1-hydroxy-1-phenyloctan-3-yl)carbamate
CID 101411554
tert-butyl N-(4-azido-1-phenylbutyl)carbamate
CID 86590308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate (CID 107256600) is tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate is CCCCCNCCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate?
The InChIKey is IRZBRFIZXNBVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-6-10-14-20-15-13-17(16-11-8-7-9-12-16)21-18(22)23-19(2,3)4/h7-9,11-12,17,20H,5-6,10,13-15H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate?
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate is sourced from PubChem (CID 107256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).