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

C14H27N5O5 — CID 123430059

IUPACmethyl 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
SMILESCOC(=O)N(CCNC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H27N5O5/c1-13(2,10(15)21)17-6-7-19(12(23)24-5)8-9(20)18-14(3,4)11(16)22/h17H,6-8H2,1-5H3,(H2,15,21)(H2,16,22)(H,18,20)
InChIKeyJHOXLTJRDGNZJH-UHFFFAOYSA-N
MW345.40 g/mol
LogP-1.71
Rot. Bonds9

About 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

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 (PubChem CID 123430059) has the molecular formula C14H27N5O5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID123430059
Molecular FormulaC14H27N5O5
Molecular Weight345.40 g/mol
Exact Mass345.20
IUPAC Namemethyl 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
SMILESCOC(=O)N(CCNC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H27N5O5/c1-13(2,10(15)21)17-6-7-19(12(23)24-5)8-9(20)18-14(3,4)11(16)22/h17H,6-8H2,1-5H3,(H2,15,21)(H2,16,22)(H,18,20)
InChIKeyJHOXLTJRDGNZJH-UHFFFAOYSA-N
XLogP-1.71
TPSA156.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)N(CCNC(C)(C)C(N)=O)CC(=O)NC(C)(C)C(N)=O.
What is the InChIKey of 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?
The InChIKey is JHOXLTJRDGNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O5/c1-13(2,10(15)21)17-6-7-19(12(23)24-5)8-9(20)18-14(3,4)11(16)22/h17H,6-8H2,1-5H3,(H2,15,21)(H2,16,22)(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 345.40 g/mol, XLogP of -1.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123430059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).