tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate

C16H25N3O3 — CID 60613829

IUPACtert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
SMILESCN(Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-11-10-17-14(20)19(4)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyIRVZHWLLZPIWBZ-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.35
Rot. Bonds5

About tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate (PubChem CID 60613829) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
PubChem CID60613829
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
SMILESCN(Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-11-10-17-14(20)19(4)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyIRVZHWLLZPIWBZ-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.35
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-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl N-[3-[methyl-[(4-phenylphenyl)methyl]amino]-3-oxopropyl]carbamate
CID 46588215
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734547
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
1-benzyl-3-(3-methoxypropyl)-1-methylurea
CID 108988118
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947532
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
tert-butyl N-[2-[benzoyl(methyl)amino]ethyl]carbamate
CID 167260960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate (CID 60613829) is tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate is CN(Cc1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate?
The InChIKey is IRVZHWLLZPIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)18-11-10-17-14(20)19(4)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate is sourced from PubChem (CID 60613829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).