ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide

C11H24N2O2 — CID 142449079

IUPACethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
SMILESCC.CCCNC(C)C(=O)NC(C)C=O
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-5-10-8(3)9(13)11-7(2)6-12;1-2/h6-8,10H,4-5H2,1-3H3,(H,11,13);1-2H3
InChIKeyIJBCMGXTQDFXRO-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.10
Rot. Bonds6

About ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide

ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide (PubChem CID 142449079) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide.

Molecular Properties

Compound Nameethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
PubChem CID142449079
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
SMILESCC.CCCNC(C)C(=O)NC(C)C=O
InChIInChI=1S/C9H18N2O2.C2H6/c1-4-5-10-8(3)9(13)11-7(2)6-12;1-2/h6-8,10H,4-5H2,1-3H3,(H,11,13);1-2H3
InChIKeyIJBCMGXTQDFXRO-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Positive inhibitor UA
CID 16040291
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
N,N'-Dipropyloxamide
CID 123335
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
N,N'-diisopropyloxamide
CID 245845
2-Acetamidopropanamide
CID 152381
L-Alanyl-L-Alanyl-L-Alanyl-L-Alaninamide
CID 5496808
N-Acetylalanyl-N-methylamide
CID 5484387
(S)-2-Acetamidopropanamide
CID 6950965
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 4369342
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 14259918

Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide?
The IUPAC name of ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide (CID 142449079) is ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide.
What is the SMILES notation for ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide?
The canonical SMILES for ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide is CC.CCCNC(C)C(=O)NC(C)C=O.
What is the InChIKey of ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide?
The InChIKey is IJBCMGXTQDFXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2H6/c1-4-5-10-8(3)9(13)11-7(2)6-12;1-2/h6-8,10H,4-5H2,1-3H3,(H,11,13);1-2H3.
What are the key properties of ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide?
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide has a molecular weight of 216.32 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide is sourced from PubChem (CID 142449079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).