N-formyl-2-methyl-N-pentylbenzamide

C14H19NO2 — CID 142115251

IUPACN-formyl-2-methyl-N-pentylbenzamide
SMILESCCCCCN(C=O)C(=O)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-3-4-7-10-15(11-16)14(17)13-9-6-5-8-12(13)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyFXIZQMMVGHOQJE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.78
Rot. Bonds6

About N-formyl-2-methyl-N-pentylbenzamide

N-formyl-2-methyl-N-pentylbenzamide (PubChem CID 142115251) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-formyl-2-methyl-N-pentylbenzamide.

Molecular Properties

Compound NameN-formyl-2-methyl-N-pentylbenzamide
PubChem CID142115251
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-formyl-2-methyl-N-pentylbenzamide
SMILESCCCCCN(C=O)C(=O)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-3-4-7-10-15(11-16)14(17)13-9-6-5-8-12(13)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3
InChIKeyFXIZQMMVGHOQJE-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.78
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

2-methyl-N,N-dipentylbenzamide
CID 4576290
butane;carbanide;N-formyl-2-methyl-N-pentylbenzamide;methylbenzene;3-methylheptane;uranium(2+)
CID 176663351
S-[4-[4-[formyl-(2-methylbenzoyl)amino]butyl]phenyl] N,N-dimethylcarbamothioate
CID 143191201
N-[4-(4-tert-butylphenyl)-4-hydroxybutyl]-N-formyl-2-methylbenzamide
CID 166998810
4-ethyl-N-formyl-2-methyl-N-propylbenzamide
CID 143638016
N-[4-[(5,6-dimethyl-3-pyridinyl)methyliminomethyl-methylamino]butyl]-N-formyl-2-methylbenzamide
CID 142962100
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
N-hexyl-2-methylbenzamide
CID 3017102
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
ethane;N-formyl-N-[4-[[N-[(Z)-2-[(Z)-1-methoxyethenyliminomethyl]pent-2-enyl]-C-methylcarbonimidoyl]-methylamino]butyl]-2-methylbenzamide
CID 142961831

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methyl-N-pentylbenzamide?
The IUPAC name of N-formyl-2-methyl-N-pentylbenzamide (CID 142115251) is N-formyl-2-methyl-N-pentylbenzamide.
What is the SMILES notation for N-formyl-2-methyl-N-pentylbenzamide?
The canonical SMILES for N-formyl-2-methyl-N-pentylbenzamide is CCCCCN(C=O)C(=O)c1ccccc1C.
What is the InChIKey of N-formyl-2-methyl-N-pentylbenzamide?
The InChIKey is FXIZQMMVGHOQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-7-10-15(11-16)14(17)13-9-6-5-8-12(13)2/h5-6,8-9,11H,3-4,7,10H2,1-2H3.
What are the key properties of N-formyl-2-methyl-N-pentylbenzamide?
N-formyl-2-methyl-N-pentylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methyl-N-pentylbenzamide is sourced from PubChem (CID 142115251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).