tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate

C15H22N4O4 — CID 108864505

IUPACtert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-9-8-17-13(21)19-11-7-5-4-6-10(11)12(16)20/h4-7H,8-9H2,1-3H3,(H2,16,20)(H,18,22)(H2,17,19,21)
InChIKeyVQZILIVOKWICCW-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.43
Rot. Bonds5

About tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate

tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate (PubChem CID 108864505) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate
PubChem CID108864505
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nametert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-9-8-17-13(21)19-11-7-5-4-6-10(11)12(16)20/h4-7H,8-9H2,1-3H3,(H2,16,20)(H,18,22)(H2,17,19,21)
InChIKeyVQZILIVOKWICCW-UHFFFAOYSA-N
XLogP1.43
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2-bromophenyl)carbamoylamino]ethyl]carbamate
CID 108864539
tert-butyl N-[1-(2-carbamoylanilino)-1-oxobutan-2-yl]carbamate
CID 123620758
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tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
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2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
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tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
CID 65143006
tert-butyl N-[3-oxo-3-[2-[(2,2,2-trifluoroacetyl)amino]anilino]propyl]carbamate
CID 108920183
tert-butyl N-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]carbamate
CID 84551382
tert-butyl N-[4-[[amino-[2-(methoxymethyl)anilino]methylidene]amino]butyl]carbamate;hydroiodide
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tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate (CID 108864505) is tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate?
The InChIKey is VQZILIVOKWICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-15(2,3)23-14(22)18-9-8-17-13(21)19-11-7-5-4-6-10(11)12(16)20/h4-7H,8-9H2,1-3H3,(H2,16,20)(H,18,22)(H2,17,19,21).
What are the key properties of tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate?
tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate has a molecular weight of 322.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate is sourced from PubChem (CID 108864505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).