N-methyl-N-(4-octanoylphenyl)formamide

C16H23NO2 — CID 43340831

IUPACN-methyl-N-(4-octanoylphenyl)formamide
SMILESCCCCCCCC(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-7-8-16(19)14-9-11-15(12-10-14)17(2)13-18/h9-13H,3-8H2,1-2H3
InChIKeySUGBGUUSVQCURQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.82
Rot. Bonds9

About N-methyl-N-(4-octanoylphenyl)formamide

N-methyl-N-(4-octanoylphenyl)formamide (PubChem CID 43340831) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-N-(4-octanoylphenyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(4-octanoylphenyl)formamide
PubChem CID43340831
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-methyl-N-(4-octanoylphenyl)formamide
SMILESCCCCCCCC(=O)c1ccc(N(C)C=O)cc1
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-7-8-16(19)14-9-11-15(12-10-14)17(2)13-18/h9-13H,3-8H2,1-2H3
InChIKeySUGBGUUSVQCURQ-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
4-nonanoylbenzaldehyde
CID 59691825
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-[6-(dimethylamino)naphthalen-2-yl]heptan-1-one
CID 172711928
1-phenylheptadecan-1-one
CID 577626
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-(4-propylphenyl)decan-1-one
CID 65449493

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-octanoylphenyl)formamide?
The IUPAC name of N-methyl-N-(4-octanoylphenyl)formamide (CID 43340831) is N-methyl-N-(4-octanoylphenyl)formamide.
What is the SMILES notation for N-methyl-N-(4-octanoylphenyl)formamide?
The canonical SMILES for N-methyl-N-(4-octanoylphenyl)formamide is CCCCCCCC(=O)c1ccc(N(C)C=O)cc1.
What is the InChIKey of N-methyl-N-(4-octanoylphenyl)formamide?
The InChIKey is SUGBGUUSVQCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-5-6-7-8-16(19)14-9-11-15(12-10-14)17(2)13-18/h9-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(4-octanoylphenyl)formamide?
N-methyl-N-(4-octanoylphenyl)formamide has a molecular weight of 261.37 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-octanoylphenyl)formamide is sourced from PubChem (CID 43340831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).