ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate

C14H24N4O4 — CID 8792380

IUPACethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C14H24N4O4/c1-6-18(8-11(19)16-13(21)22-7-2)9-12(20)17(5)14(3,4)10-15/h6-9H2,1-5H3,(H,16,19,21)
InChIKeyCFFIKXIEUJTQLE-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.34
Rot. Bonds7

About ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8792380) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8792380
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Nameethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)N(C)C(C)(C)C#N
InChIInChI=1S/C14H24N4O4/c1-6-18(8-11(19)16-13(21)22-7-2)9-12(20)17(5)14(3,4)10-15/h6-9H2,1-5H3,(H,16,19,21)
InChIKeyCFFIKXIEUJTQLE-UHFFFAOYSA-N
XLogP0.34
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate with MolForge

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Related Compounds

methyl N,N-bis[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]carbamate
CID 123190583
ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 146227384
[2-(Tert-butylamino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8767198
ethyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 8767199
[2-(Tert-butylamino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8768038
methyl N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 8768039
2-Cyanoethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8791989
ethyl N-[2-[2-cyanoethyl(ethyl)amino]acetyl]carbamate
CID 8791990
[(2R)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792194
ethyl N-[2-[[(2R)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792195
[(2S)-2-cyanopropyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8792222
ethyl N-[2-[[(2S)-2-cyanopropyl]-ethylamino]acetyl]carbamate
CID 8792223

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8792380) is ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)N(C)C(C)(C)C#N.
What is the InChIKey of ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is CFFIKXIEUJTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-6-18(8-11(19)16-13(21)22-7-2)9-12(20)17(5)14(3,4)10-15/h6-9H2,1-5H3,(H,16,19,21).
What are the key properties of ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8792380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).