N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide

C12H25N3O2 — CID 55138018

IUPACN-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
SMILESCCNC(C)CC(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-14-10(4)6-12(17)15(7-9(2)3)8-11(13)16/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyQASZJMXMZKUKCB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide

N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide (PubChem CID 55138018) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
PubChem CID55138018
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
SMILESCCNC(C)CC(=O)N(CC(N)=O)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-5-14-10(4)6-12(17)15(7-9(2)3)8-11(13)16/h9-10,14H,5-8H2,1-4H3,(H2,13,16)
InChIKeyQASZJMXMZKUKCB-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide (CID 55138018) is N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide is CCNC(C)CC(=O)N(CC(N)=O)CC(C)C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
The InChIKey is QASZJMXMZKUKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-14-10(4)6-12(17)15(7-9(2)3)8-11(13)16/h9-10,14H,5-8H2,1-4H3,(H2,13,16).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide?
N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 55138018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).