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

C19H22N2O4 — CID 4935782

IUPACbenzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(2)16-10-6-7-11-17(16)24-13-18(22)20-21-19(23)25-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCUHFEQSLVKTIRH-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.15
Rot. Bonds6

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

benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate (PubChem CID 4935782) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
PubChem CID4935782
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
SMILESCC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(2)16-10-6-7-11-17(16)24-13-18(22)20-21-19(23)25-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCUHFEQSLVKTIRH-UHFFFAOYSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.15
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-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
benzyl N-[(2S)-1-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55944322
N'-[2-(2-propan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955562
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
CID 55491511

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate?
The IUPAC name of benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate (CID 4935782) is benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate.
What is the SMILES notation for benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate?
The canonical SMILES for benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate is CC(C)c1ccccc1OCC(=O)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate?
The InChIKey is CUHFEQSLVKTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)16-10-6-7-11-17(16)24-13-18(22)20-21-19(23)25-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate?
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate has a molecular weight of 342.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 4935782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).