tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate

C16H24N2O3 — CID 9138499

IUPACtert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-11-7-10-14(19)18-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySDFCYKFTSGSOPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate (PubChem CID 9138499) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
PubChem CID9138499
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-11-7-10-14(19)18-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySDFCYKFTSGSOPG-UHFFFAOYSA-N
XLogP2.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.61
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-[4-oxo-4-(phenylmethoxyamino)butyl]carbamate
CID 9227591
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tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[4-oxo-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butyl]carbamate
CID 55527464
tert-butyl N-[3-[(N-benzyl-N'-methylcarbamimidoyl)amino]propyl]carbamate
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tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328
tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
tert-butyl N-[4-(2-benzoylhydrazinyl)-4-oxobutyl]carbamate
CID 9471691
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
tert-butyl N-[[4-[2-[4-(ethoxycarbonylamino)butanoylamino]ethyl]phenyl]methyl]carbamate
CID 163196886
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CID 55846532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate (CID 9138499) is tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)NCc1ccccc1.
What is the InChIKey of tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate?
The InChIKey is SDFCYKFTSGSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)17-11-7-10-14(19)18-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 9138499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).