N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen

C18H29NO2 — CID 156860469

IUPACN-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
SMILESCCC(=O)CCCCCc1cccc(NC(=O)CC)c1C.[H][H]
InChIInChI=1S/C18H27NO2.H2/c1-4-16(20)12-8-6-7-10-15-11-9-13-17(14(15)3)19-18(21)5-2;/h9,11,13H,4-8,10,12H2,1-3H3,(H,19,21);1H
InChIKeyRQVWXTMGHCYXPX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.67
Rot. Bonds9

About N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen

N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen (PubChem CID 156860469) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
PubChem CID156860469
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
SMILESCCC(=O)CCCCCc1cccc(NC(=O)CC)c1C.[H][H]
InChIInChI=1S/C18H27NO2.H2/c1-4-16(20)12-8-6-7-10-15-11-9-13-17(14(15)3)19-18(21)5-2;/h9,11,13H,4-8,10,12H2,1-3H3,(H,19,21);1H
InChIKeyRQVWXTMGHCYXPX-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 166461297
N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
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N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
CID 155707646
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2,3-diethylphenyl)propanamide
CID 142121633
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
[2,3-di(nonyl)phenyl]carbamothioic S-acid
CID 87179093
(2,3-dihexylphenyl)carbamothioic S-acid
CID 87178909

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen?
The IUPAC name of N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen (CID 156860469) is N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen is CCC(=O)CCCCCc1cccc(NC(=O)CC)c1C.[H][H].
What is the InChIKey of N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen?
The InChIKey is RQVWXTMGHCYXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.H2/c1-4-16(20)12-8-6-7-10-15-11-9-13-17(14(15)3)19-18(21)5-2;/h9,11,13H,4-8,10,12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen?
N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen has a molecular weight of 291.44 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen is sourced from PubChem (CID 156860469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).