benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane

C24H34N2O5 — CID 66764391

IUPACbenzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane
SMILESCOC.COCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O4.C2H6O/c1-16-11-17(2)13-19(12-16)20(25)24(22(3,4)15-27-5)23-21(26)28-14-18-9-7-6-8-10-18;1-3-2/h6-13H,14-15H2,1-5H3,(H,23,26);1-2H3
InChIKeyGSGUTXREUPEOJG-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.27
Rot. Bonds6

About benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane

benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane (PubChem CID 66764391) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane.

Molecular Properties

Compound Namebenzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane
PubChem CID66764391
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Namebenzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane
SMILESCOC.COCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O4.C2H6O/c1-16-11-17(2)13-19(12-16)20(25)24(22(3,4)15-27-5)23-21(26)28-14-18-9-7-6-8-10-18;1-3-2/h6-13H,14-15H2,1-5H3,(H,23,26);1-2H3
InChIKeyGSGUTXREUPEOJG-UHFFFAOYSA-N
XLogP4.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.27
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 N-[(3,5-dimethylbenzoyl)-(1-hydroxy-2-methylpropan-2-yl)amino]carbamate;ethyl 2-[(3,5-dimethylbenzoyl)-(phenylmethoxycarbonylamino)amino]-2-methylpropanoate
CID 158082411
3,5-dimethylbenzoyl chloride;ethyl 2-[(3,5-dimethylbenzoyl)-(phenylmethoxycarbonylamino)amino]-2-methylpropanoate;ethyl 2-methyl-2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 159790663
benzyl 3,5-dimethylbenzoate
CID 54359872
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-[2-[[3-methyl-5-(trifluoromethyl)benzoyl]-[2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]carbamate
CID 158567288
ethyl 2-methyl-3-oxo-3-phenyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanoate
CID 132596281
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate
CID 101460306
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
phenylmethoxycarbonylamino 3-methylbenzoate
CID 174511034
benzyl N-(N-phenylanilino)carbamate
CID 71360694

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane?
The IUPAC name of benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane (CID 66764391) is benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane.
What is the SMILES notation for benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane?
The canonical SMILES for benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane is COC.COCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane?
The InChIKey is GSGUTXREUPEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.C2H6O/c1-16-11-17(2)13-19(12-16)20(25)24(22(3,4)15-27-5)23-21(26)28-14-18-9-7-6-8-10-18;1-3-2/h6-13H,14-15H2,1-5H3,(H,23,26);1-2H3.
What are the key properties of benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane?
benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane has a molecular weight of 430.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3,5-dimethylbenzoyl)-(1-methoxy-2-methylpropan-2-yl)amino]carbamate;methoxymethane is sourced from PubChem (CID 66764391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).