2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide

C9H19N3O2 — CID 43089259

IUPAC2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(2)4-12-9(14)7(3)11-5-8(10)13/h6-7,11H,4-5H2,1-3H3,(H2,10,13)(H,12,14)
InChIKeyZZYWGEMFUCAXAV-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.78
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide

2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 43089259) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID43089259
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCC(N)=O
InChIInChI=1S/C9H19N3O2/c1-6(2)4-12-9(14)7(3)11-5-8(10)13/h6-7,11H,4-5H2,1-3H3,(H2,10,13)(H,12,14)
InChIKeyZZYWGEMFUCAXAV-UHFFFAOYSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(3-methylbutan-2-ylamino)-N-(2-methylpropyl)propanamide
CID 43087775
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 113228551
N-(2-methylpropyl)-2-[(1-propan-2-ylcyclopropyl)methylamino]propanamide
CID 103742193
N-(2-methylpropyl)-2-(pentan-2-ylamino)propanamide
CID 43087379
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide;hydrobromide
CID 18600444
2-[[2-(2-methylanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)propanamide
CID 115745528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide (CID 43089259) is 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is ZZYWGEMFUCAXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(2)4-12-9(14)7(3)11-5-8(10)13/h6-7,11H,4-5H2,1-3H3,(H2,10,13)(H,12,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide?
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43089259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).