2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

C14H26N4O5 — CID 175702931

IUPAC2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC(C)(C)C
InChIInChI=1S/C14H26N4O5/c1-5-15-10(19)6-16-11(20)7-17-12(21)8-18-13(22)23-9-14(2,3)4/h5-9H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyIKDPPBYYPZASPX-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.87
Rot. Bonds8

About 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate

2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 175702931) has the molecular formula C14H26N4O5 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID175702931
Molecular FormulaC14H26N4O5
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC(C)(C)C
InChIInChI=1S/C14H26N4O5/c1-5-15-10(19)6-16-11(20)7-17-12(21)8-18-13(22)23-9-14(2,3)4/h5-9H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22)
InChIKeyIKDPPBYYPZASPX-UHFFFAOYSA-N
XLogP-0.87
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 175702931) is 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is CCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is IKDPPBYYPZASPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O5/c1-5-15-10(19)6-16-11(20)7-17-12(21)8-18-13(22)23-9-14(2,3)4/h5-9H2,1-4H3,(H,15,19)(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate?
2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 330.39 g/mol, XLogP of -0.87, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 175702931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).