benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

C17H26N2O3 — CID 176618004

IUPACbenzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2,3)18-14(20)17(4,5)19(6)15(21)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,18,20)
InChIKeyHTSBWZUZFUWMKC-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.95
Rot. Bonds4

About benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate

benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 176618004) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID176618004
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C17H26N2O3/c1-16(2,3)18-14(20)17(4,5)19(6)15(21)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,18,20)
InChIKeyHTSBWZUZFUWMKC-UHFFFAOYSA-N
XLogP2.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
N-tert-butyl-2-[tert-butyl(phenylmethoxy)amino]-2-methylpropanamide
CID 22598530
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
CID 70611744
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
(2R)-2,3-ditert-butyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 22866084

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate (CID 176618004) is benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is HTSBWZUZFUWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)18-14(20)17(4,5)19(6)15(21)22-12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3,(H,18,20).
What are the key properties of benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate?
benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 306.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 176618004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).