benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate

C15H22N2O3 — CID 176618117

IUPACbenzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
SMILESCN(C(=O)CNC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(4)13(18)10-16-14(19)20-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19)
InChIKeyKHGDCPURDVSQEO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds4

About benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate (PubChem CID 176618117) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
PubChem CID176618117
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate
SMILESCN(C(=O)CNC(=O)OCc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(4)13(18)10-16-14(19)20-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19)
InChIKeyKHGDCPURDVSQEO-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
methyl 2-[amino-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 165342996
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(5,5-dimethyl-2-oxohexyl)carbamate
CID 165468544
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
calcium;bis(2-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate);dihydrate
CID 139088616
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
diethyl 2-[2-(phenylmethoxycarbonylamino)acetyl]oxypropanedioate
CID 3059726

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate (CID 176618117) is benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate is CN(C(=O)CNC(=O)OCc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate?
The InChIKey is KHGDCPURDVSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)17(4)13(18)10-16-14(19)20-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,16,19).
What are the key properties of benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[tert-butyl(methyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 176618117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).