6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide

C12H21NO2 — CID 163614601

IUPAC6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
SMILESC=C(C)C(=O)CCCC(=O)NCC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)8-13-12(15)7-5-6-11(14)10(3)4/h9H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyHIXBPBOLTIVDRP-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.07
Rot. Bonds7

About 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide

6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide (PubChem CID 163614601) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
PubChem CID163614601
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide
SMILESC=C(C)C(=O)CCCC(=O)NCC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)8-13-12(15)7-5-6-11(14)10(3)4/h9H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyHIXBPBOLTIVDRP-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 24696940
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
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CID 146802070
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
N-(8-methyl-7-oxonon-8-enyl)-2-(propan-2-ylamino)acetamide
CID 167215144
3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
CID 107900289
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
3-cyano-N-(2-methylpropyl)propanamide
CID 82111206
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide (CID 163614601) is 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide is C=C(C)C(=O)CCCC(=O)NCC(C)C.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide?
The InChIKey is HIXBPBOLTIVDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)8-13-12(15)7-5-6-11(14)10(3)4/h9H,3,5-8H2,1-2,4H3,(H,13,15).
What are the key properties of 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide?
6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide has a molecular weight of 211.30 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-5-oxohept-6-enamide is sourced from PubChem (CID 163614601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).