benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate

C20H24N2O4 — CID 4935783

IUPACbenzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
SMILESCCC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-15(2)17-11-7-8-12-18(17)25-14-19(23)21-22-20(24)26-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJDMLRUDBDJITIQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.54
Rot. Bonds7

About benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate

benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate (PubChem CID 4935783) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
PubChem CID4935783
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebenzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
SMILESCCC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-3-15(2)17-11-7-8-12-18(17)25-14-19(23)21-22-20(24)26-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJDMLRUDBDJITIQ-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511
(2-butan-2-ylphenyl) 2-(phenylmethoxycarbonylamino)propanoate
CID 141165166
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
benzyl N-[(2S)-1-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55944322
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]pentanamide
CID 4925750
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate?
The IUPAC name of benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate (CID 4935783) is benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate.
What is the SMILES notation for benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate?
The canonical SMILES for benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate is CCC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate?
The InChIKey is JDMLRUDBDJITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-15(2)17-11-7-8-12-18(17)25-14-19(23)21-22-20(24)26-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate?
benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 4935783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).