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

C18H28N2O2 — CID 107256614

IUPACtert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCNC1CCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-8-5-4-6-9-14)12-13-19-15-10-7-11-15/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3,(H,20,21)
InChIKeyMDXXGEADWUNYIX-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.78
Rot. Bonds6

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

tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate (PubChem CID 107256614) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
PubChem CID107256614
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CCNC1CCC1)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-8-5-4-6-9-14)12-13-19-15-10-7-11-15/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3,(H,20,21)
InChIKeyMDXXGEADWUNYIX-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
CID 103748481
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600
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
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
tert-butyl N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-1-phenylethyl]carbamate;hydroiodide
CID 111759588
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate (CID 107256614) is tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate is CC(C)(C)OC(=O)NC(CCNC1CCC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate?
The InChIKey is MDXXGEADWUNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16(14-8-5-4-6-9-14)12-13-19-15-10-7-11-15/h4-6,8-9,15-16,19H,7,10-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate?
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate is sourced from PubChem (CID 107256614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).