2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide

C11H19N3O4 — CID 163702587

IUPAC2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O
InChIInChI=1S/C11H19N3O4/c1-6(5-15)12-10(17)8(3)14-11(18)7(2)13-9(4)16/h5-8H,1-4H3,(H,12,17)(H,13,16)(H,14,18)
InChIKeyKCHWXDRCDYIQLG-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.28
Rot. Bonds6

About 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide

2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide (PubChem CID 163702587) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
PubChem CID163702587
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
SMILESCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O
InChIInChI=1S/C11H19N3O4/c1-6(5-15)12-10(17)8(3)14-11(18)7(2)13-9(4)16/h5-8H,1-4H3,(H,12,17)(H,13,16)(H,14,18)
InChIKeyKCHWXDRCDYIQLG-UHFFFAOYSA-N
XLogP-1.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 25203952
2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
CID 20680961
(2S)-2-acetamido-N-[(3S)-4-methyl-1,2-dioxopentan-3-yl]propanamide
CID 53343350
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
(E)-2-(dimethylamino)-7-oxo-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]oct-5-enamide
CID 58435771

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide?
The IUPAC name of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide (CID 163702587) is 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide?
The canonical SMILES for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide is CC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C=O.
What is the InChIKey of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide?
The InChIKey is KCHWXDRCDYIQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(5-15)12-10(17)8(3)14-11(18)7(2)13-9(4)16/h5-8H,1-4H3,(H,12,17)(H,13,16)(H,14,18).
What are the key properties of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide?
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide has a molecular weight of 257.29 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide is sourced from PubChem (CID 163702587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).