benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate

C21H32N2O3 — CID 70447566

IUPACbenzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate
SMILESCC(C)(N)C(=O)N(C(=O)OCc1ccccc1)C1C(C)(C)CCC1(C)C
InChIInChI=1S/C21H32N2O3/c1-19(2)12-13-20(3,4)16(19)23(17(24)21(5,6)22)18(25)26-14-15-10-8-7-9-11-15/h7-11,16H,12-14,22H2,1-6H3
InChIKeyRXLASKDKGUWSMN-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.10
Rot. Bonds4

About benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate

benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate (PubChem CID 70447566) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate
PubChem CID70447566
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Namebenzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate
SMILESCC(C)(N)C(=O)N(C(=O)OCc1ccccc1)C1C(C)(C)CCC1(C)C
InChIInChI=1S/C21H32N2O3/c1-19(2)12-13-20(3,4)16(19)23(17(24)21(5,6)22)18(25)26-14-15-10-8-7-9-11-15/h7-11,16H,12-14,22H2,1-6H3
InChIKeyRXLASKDKGUWSMN-UHFFFAOYSA-N
XLogP4.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
[tert-butyl(phenylmethoxycarbonyl)amino] 6-azaspiro[2.5]octane-6-carboxylate
CID 171137975
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
1-O-benzyl 4-O-tert-butyl 1-methylcyclohexane-1,4-dicarboxylate
CID 118208088
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 129285103
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl N-[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]-N-methylcarbamate
CID 58777440
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate?
The IUPAC name of benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate (CID 70447566) is benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate.
What is the SMILES notation for benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate?
The canonical SMILES for benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate is CC(C)(N)C(=O)N(C(=O)OCc1ccccc1)C1C(C)(C)CCC1(C)C.
What is the InChIKey of benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate?
The InChIKey is RXLASKDKGUWSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-19(2)12-13-20(3,4)16(19)23(17(24)21(5,6)22)18(25)26-14-15-10-8-7-9-11-15/h7-11,16H,12-14,22H2,1-6H3.
What are the key properties of benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate?
benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate has a molecular weight of 360.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-2-methylpropanoyl)-N-(2,2,5,5-tetramethylcyclopentyl)carbamate is sourced from PubChem (CID 70447566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).