tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate

C19H32N4O3 — CID 142216016

IUPACtert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate
SMILESCNN(Cc1ccccc1)C(=O)CN(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-15(2)12-22(21-18(25)26-19(3,4)5)14-17(24)23(20-6)13-16-10-8-7-9-11-16/h7-11,15,20H,12-14H2,1-6H3,(H,21,25)
InChIKeyXAXLLWSHPCDTAA-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.55
Rot. Bonds8

About tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate

tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate (PubChem CID 142216016) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate
PubChem CID142216016
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Nametert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate
SMILESCNN(Cc1ccccc1)C(=O)CN(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N4O3/c1-15(2)12-22(21-18(25)26-19(3,4)5)14-17(24)23(20-6)13-16-10-8-7-9-11-16/h7-11,15,20H,12-14H2,1-6H3,(H,21,25)
InChIKeyXAXLLWSHPCDTAA-UHFFFAOYSA-N
XLogP2.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-[benzyl-[(2-bromoacetyl)amino]amino]-2-oxoethyl]-propylamino]carbamate
CID 142215965
tert-butyl N-benzyl-N-(methylamino)carbamate
CID 54080380
tert-butyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
CID 10813492
tert-butyl N-[benzyl(2,2-dimethylbutanoyl)amino]carbamate
CID 178067850
benzyl N-[[2-[amino(2-methylpropyl)amino]acetyl]-benzylamino]carbamate
CID 11383535
(2S)-2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]-3-phenylpropanoic acid
CID 18651118
methyl (2S)-2-[[benzyl-[[(2S)-2-[[benzyl-[[(2S)-2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]propanoyl]amino]carbamoyl]amino]propanoyl]amino]carbamoyl]amino]propanoate
CID 122395708
tert-butyl N-[[2-[benzyl(methyl)amino]-2-oxoethyl]-carbamothioylamino]carbamate
CID 162421351
tert-butyl N-[1-[benzyl-(2-chloroacetyl)amino]propan-2-yl]carbamate
CID 175047776
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl N-[(2R,3R)-3-[benzyl(hydroxy)amino]-1-hydroxybutan-2-yl]carbamate
CID 130848205
tert-butyl N-[(2R,3S)-1-(dibenzylamino)-2-hydroxy-5-methylhexan-3-yl]carbamate
CID 57059484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate?
The IUPAC name of tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate (CID 142216016) is tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate is CNN(Cc1ccccc1)C(=O)CN(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate?
The InChIKey is XAXLLWSHPCDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15(2)12-22(21-18(25)26-19(3,4)5)14-17(24)23(20-6)13-16-10-8-7-9-11-16/h7-11,15,20H,12-14H2,1-6H3,(H,21,25).
What are the key properties of tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate?
tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate has a molecular weight of 364.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[benzyl(methylamino)amino]-2-oxoethyl]-(2-methylpropyl)amino]carbamate is sourced from PubChem (CID 142216016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).