ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate

C12H23N3O4 — CID 8767199

IUPACethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18)
InChIKeyPJKWEIMGGPQWCE-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.11
Rot. Bonds5

About ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate

ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate (PubChem CID 8767199) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
PubChem CID8767199
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18)
InChIKeyPJKWEIMGGPQWCE-UHFFFAOYSA-N
XLogP0.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
2,2,2-trifluoroethyl N-[2-(tert-butylamino)-2-oxoethyl]-N-methylcarbamate
CID 65168372
tert-butyl N-[2-[(2-amino-2-oxoethyl)-butylamino]acetyl]carbamate
CID 54561688
ethyl N-ethyl-N-[1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 87491226
methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123190583
methyl N-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]ethyl]-N-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123430059
ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 138630473
propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 138630558
ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 146227384
pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate
CID 166684302
2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 175702931
2-methylpropyl N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 176888944

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate (CID 8767199) is ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The InChIKey is PJKWEIMGGPQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-6-19-11(18)13-9(16)7-15(5)8-10(17)14-12(2,3)4/h6-8H2,1-5H3,(H,14,17)(H,13,16,18).
What are the key properties of ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate?
ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate has a molecular weight of 273.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate is sourced from PubChem (CID 8767199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).