2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide

C10H18N4O2 — CID 65251553

IUPAC2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H18N4O2/c1-10(2,7-11)3-4-14(5-8(12)15)6-9(13)16/h3-6H2,1-2H3,(H2,12,15)(H2,13,16)
InChIKeyDNJALKWZXRQNSP-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.80
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide (PubChem CID 65251553) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide
PubChem CID65251553
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide
SMILESCC(C)(C#N)CCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C10H18N4O2/c1-10(2,7-11)3-4-14(5-8(12)15)6-9(13)16/h3-6H2,1-2H3,(H2,12,15)(H2,13,16)
InChIKeyDNJALKWZXRQNSP-UHFFFAOYSA-N
XLogP-0.80
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide (CID 65251553) is 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide is CC(C)(C#N)CCN(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide?
The InChIKey is DNJALKWZXRQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,7-11)3-4-14(5-8(12)15)6-9(13)16/h3-6H2,1-2H3,(H2,12,15)(H2,13,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(3-cyano-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 65251553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).