(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide

C16H29NO2 — CID 134389777

IUPAC(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide
SMILESC=C(C)C(C(=O)CCC(C)C)[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)8-9-13(18)14(11(3)4)15(12(5)6)16(19)17-7/h10,12,14-15H,3,8-9H2,1-2,4-7H3,(H,17,19)/t14?,15-/m1/s1
InChIKeyJJKZOYTYECUSRH-YSSOQSIOSA-N
MW267.41 g/mol
LogP3.20
Rot. Bonds8

About (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide

(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide (PubChem CID 134389777) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide.

Molecular Properties

Compound Name(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide
PubChem CID134389777
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide
SMILESC=C(C)C(C(=O)CCC(C)C)[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C16H29NO2/c1-10(2)8-9-13(18)14(11(3)4)15(12(5)6)16(19)17-7/h10,12,14-15H,3,8-9H2,1-2,4-7H3,(H,17,19)/t14?,15-/m1/s1
InChIKeyJJKZOYTYECUSRH-YSSOQSIOSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide with MolForge

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Related Compounds

9-methyl-5-propan-2-yldecane-4,6-dione
CID 141004333
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
N,2,5-trimethylhexanamide
CID 78065622
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
2-methoxy-6-methylheptan-3-one
CID 79617250
6-amino-2-methyldecan-5-one
CID 116556613
2-amino-N,5-dimethylhexanamide
CID 116850475
2,8-dimethylnon-1-en-5-one
CID 114473507
2,6-dimethylheptane;2,7-dimethyloctan-3-one
CID 161345057
6-hydroxy-2,9-dimethyldecan-5-one
CID 44721103
N,2-dimethyl-3-oxopentanamide
CID 55299421

Frequently Asked Questions

What is the IUPAC name of (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide?
The IUPAC name of (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide (CID 134389777) is (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide.
What is the SMILES notation for (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide?
The canonical SMILES for (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide is C=C(C)C(C(=O)CCC(C)C)[C@H](C(=O)NC)C(C)C.
What is the InChIKey of (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide?
The InChIKey is JJKZOYTYECUSRH-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H29NO2/c1-10(2)8-9-13(18)14(11(3)4)15(12(5)6)16(19)17-7/h10,12,14-15H,3,8-9H2,1-2,4-7H3,(H,17,19)/t14?,15-/m1/s1.
What are the key properties of (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide?
(2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide has a molecular weight of 267.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,7-dimethyl-4-oxo-2-propan-2-yl-3-prop-1-en-2-yloctanamide is sourced from PubChem (CID 134389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).