benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate

C14H18N2O4 — CID 102231478

IUPACbenzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
SMILESCC(C)(C)NC(=O)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)16-12(18)11(17)15-13(19)20-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18)(H,15,17,19)
InChIKeyOYHGMYDUJILAHJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.35
Rot. Bonds2

About benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate

benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate (PubChem CID 102231478) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
PubChem CID102231478
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namebenzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
SMILESCC(C)(C)NC(=O)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(2,3)16-12(18)11(17)15-13(19)20-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18)(H,15,17,19)
InChIKeyOYHGMYDUJILAHJ-UHFFFAOYSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768
benzyl N-[3-(methylamino)-3-oxoprop-1-en-2-yl]carbamate
CID 131853224
benzyl N-(2-phenylprop-2-enoyl)carbamate
CID 139252880
(E)-5,5-dimethyl-2-(phenylmethoxycarbonylamino)hex-2-enoic acid
CID 22329418
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-carbamothioylcarbamate
CID 23366039

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate?
The IUPAC name of benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate (CID 102231478) is benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate.
What is the SMILES notation for benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate?
The canonical SMILES for benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate is CC(C)(C)NC(=O)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate?
The InChIKey is OYHGMYDUJILAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2,3)16-12(18)11(17)15-13(19)20-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,18)(H,15,17,19).
What are the key properties of benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate?
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate is sourced from PubChem (CID 102231478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).