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

2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
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-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
(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
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;ethane;molecular hydrogen;propane
CID 144975391
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761

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).