(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane

C13H26N2O2 — CID 144964928

IUPAC(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
SMILESC=C(CCC(=O)NC)[C@H](C)NC(C)=O.CCC
InChIInChI=1S/C10H18N2O2.C3H8/c1-7(5-6-10(14)11-4)8(2)12-9(3)13;1-3-2/h8H,1,5-6H2,2-4H3,(H,11,14)(H,12,13);3H2,1-2H3/t8-;/m0./s1
InChIKeyUAOVDLUYMNVUHJ-QRPNPIFTSA-N
MW242.36 g/mol
LogP2.01
Rot. Bonds5

About (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane

(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane (PubChem CID 144964928) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane.

Molecular Properties

Compound Name(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
PubChem CID144964928
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane
SMILESC=C(CCC(=O)NC)[C@H](C)NC(C)=O.CCC
InChIInChI=1S/C10H18N2O2.C3H8/c1-7(5-6-10(14)11-4)8(2)12-9(3)13;1-3-2/h8H,1,5-6H2,2-4H3,(H,11,14)(H,12,13);3H2,1-2H3/t8-;/m0./s1
InChIKeyUAOVDLUYMNVUHJ-QRPNPIFTSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-acetamido-N-methyl-4-oxohexanamide
CID 118531983
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
ethyl (2S)-2-acetamidopropanoate
CID 11805045
N-methylpropanamide;propane
CID 91316585
(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
(Z)-N-methyl-4-methylidenehept-5-enamide
CID 142368118
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
ethoxycarbonyl 2-acetamidopropanoate
CID 54522375
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
4-amino-N-methylhexanamide
CID 118906510
N,4-dimethylhex-5-enamide
CID 155715427

Frequently Asked Questions

What is the IUPAC name of (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane?
The IUPAC name of (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane (CID 144964928) is (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane.
What is the SMILES notation for (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane?
The canonical SMILES for (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane is C=C(CCC(=O)NC)[C@H](C)NC(C)=O.CCC.
What is the InChIKey of (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane?
The InChIKey is UAOVDLUYMNVUHJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H18N2O2.C3H8/c1-7(5-6-10(14)11-4)8(2)12-9(3)13;1-3-2/h8H,1,5-6H2,2-4H3,(H,11,14)(H,12,13);3H2,1-2H3/t8-;/m0./s1.
What are the key properties of (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane?
(5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane has a molecular weight of 242.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-acetamido-N-methyl-4-methylidenehexanamide;propane is sourced from PubChem (CID 144964928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).