benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C19H22N2O4 — CID 15499636

IUPACbenzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(Nc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21(20-16-12-8-5-9-13-16)17(22)24-14-15-10-6-4-7-11-15/h4-13,20H,14H2,1-3H3
InChIKeyNBJBDENBTVAQKC-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.59
Rot. Bonds4

About benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 15499636) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Namebenzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID15499636
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namebenzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(Nc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21(20-16-12-8-5-9-13-16)17(22)24-14-15-10-6-4-7-11-15/h4-13,20H,14H2,1-3H3
InChIKeyNBJBDENBTVAQKC-UHFFFAOYSA-N
XLogP4.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate
CID 90156380
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 57130823
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
methyl (2S)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]oxy-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]propanoate
CID 134837645
benzyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(1S)-1-phenylprop-2-enyl]carbamate
CID 101429847
benzyl N-acetyl-N-aminocarbamate
CID 67604274

Frequently Asked Questions

What is the IUPAC name of benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 15499636) is benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(Nc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is NBJBDENBTVAQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)25-18(23)21(20-16-12-8-5-9-13-16)17(22)24-14-15-10-6-4-7-11-15/h4-13,20H,14H2,1-3H3.
What are the key properties of benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 342.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-anilino-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 15499636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).