3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide

C12H24N2O2 — CID 115929776

IUPAC3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide
SMILESCOCC(NC(C)CCC=C(C)C)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)6-5-7-10(3)14-11(8-16-4)12(13)15/h6,10-11,14H,5,7-8H2,1-4H3,(H2,13,15)
InChIKeyAVKZSCSTCHGFML-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.21
Rot. Bonds8

About 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide

3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide (PubChem CID 115929776) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide.

Molecular Properties

Compound Name3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide
PubChem CID115929776
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide
SMILESCOCC(NC(C)CCC=C(C)C)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)6-5-7-10(3)14-11(8-16-4)12(13)15/h6,10-11,14H,5,7-8H2,1-4H3,(H2,13,15)
InChIKeyAVKZSCSTCHGFML-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hex-5-en-2-ylamino)-3-methoxypropanamide
CID 104584141
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
3-methoxy-2-methylpropanamide;hydrochloride
CID 88805694
(2S)-2-(6-methylhept-5-en-2-ylamino)-3-phenylpropanoic acid
CID 122037703
2-[1-(furan-2-yl)ethylamino]-3-methoxypropanamide
CID 115929753
3-methoxy-2-(1-phenylethylamino)propanamide
CID 115774804
N-(1-methoxy-2-methylpropan-2-yl)-6-methylhept-5-en-2-amine
CID 115919782
2-acetamido-4-(3,7-dimethyloct-6-enylsulfanyl)butanamide
CID 110180555

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide?
The IUPAC name of 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide (CID 115929776) is 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide.
What is the SMILES notation for 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide?
The canonical SMILES for 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide is COCC(NC(C)CCC=C(C)C)C(N)=O.
What is the InChIKey of 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide?
The InChIKey is AVKZSCSTCHGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)6-5-7-10(3)14-11(8-16-4)12(13)15/h6,10-11,14H,5,7-8H2,1-4H3,(H2,13,15).
What are the key properties of 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide?
3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(6-methylhept-5-en-2-ylamino)propanamide is sourced from PubChem (CID 115929776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).