tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate

C19H30N2O2 — CID 107095366

IUPACtert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
SMILESCC(CNCC(NC(=O)OC(C)(C)C)C1CC1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)12-20-13-17(16-10-11-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyBJYRODILAZYBKL-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.68
Rot. Bonds7

About tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate

tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate (PubChem CID 107095366) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
PubChem CID107095366
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
SMILESCC(CNCC(NC(=O)OC(C)(C)C)C1CC1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)12-20-13-17(16-10-11-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22)
InChIKeyBJYRODILAZYBKL-UHFFFAOYSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(2-fluorophenyl)methylamino]ethyl]carbamate
CID 103872299
tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
CID 103872270
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[1-cyclopropyl-2-[(4-methoxyphenyl)methylamino]ethyl]carbamate
CID 103872184
tert-butyl N-[1-cyclopropyl-2-[(3,5-dichlorophenyl)methylamino]ethyl]carbamate
CID 107243924
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914
tert-butyl N-[1-cyclopropyl-2-[(3-methoxy-3-methylbutyl)amino]ethyl]carbamate
CID 107244038
tert-butyl N-[1-cyclopropyl-2-(hexylamino)ethyl]carbamate
CID 107243932
ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
CID 111830799
tert-butyl N-[1-cyclopropyl-2-[(4-fluoro-3-methylphenyl)methylamino]ethyl]carbamate
CID 103872203
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]-1-cyclopropylethyl]carbamate
CID 107243963

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate (CID 107095366) is tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate is CC(CNCC(NC(=O)OC(C)(C)C)C1CC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate?
The InChIKey is BJYRODILAZYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(15-8-6-5-7-9-15)12-20-13-17(16-10-11-16)21-18(22)23-19(2,3)4/h5-9,14,16-17,20H,10-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate?
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate is sourced from PubChem (CID 107095366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).