4-ethyl-N-formyl-2-methyl-N-propylbenzamide

C14H19NO2 — CID 143638016

IUPAC4-ethyl-N-formyl-2-methyl-N-propylbenzamide
SMILESCCCN(C=O)C(=O)c1ccc(CC)cc1C
InChIInChI=1S/C14H19NO2/c1-4-8-15(10-16)14(17)13-7-6-12(5-2)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyWBFISHZAVDFYEM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds5

About 4-ethyl-N-formyl-2-methyl-N-propylbenzamide

4-ethyl-N-formyl-2-methyl-N-propylbenzamide (PubChem CID 143638016) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-ethyl-N-formyl-2-methyl-N-propylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-formyl-2-methyl-N-propylbenzamide
PubChem CID143638016
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-ethyl-N-formyl-2-methyl-N-propylbenzamide
SMILESCCCN(C=O)C(=O)c1ccc(CC)cc1C
InChIInChI=1S/C14H19NO2/c1-4-8-15(10-16)14(17)13-7-6-12(5-2)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyWBFISHZAVDFYEM-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-formyl-2-methyl-N-pentylbenzamide
CID 142115251
tert-butyl 4-ethyl-2-methylbenzoate
CID 123623163
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
6-ethyl-N,N-dipropylnaphthalene-2-carboxamide
CID 153338338
N,N,4-triethyl-2-fluorobenzamide
CID 69055558
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
4-(hydroxymethyl)-2-methylbenzenecarboperoxoic acid
CID 56987862
S-[4-[4-[formyl-(2-methylbenzoyl)amino]butyl]phenyl] N,N-dimethylcarbamothioate
CID 143191201
4-fluoro-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 112702540
4-[formyl(2-methylpentan-2-yl)carbamoyl]-3-methylbenzoic acid
CID 145450866
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
CID 44925756
ethane;4-ethyl-1-[(1E)-1-fluorobuta-1,3-dienyl]-2-methylbenzene
CID 142360129

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-formyl-2-methyl-N-propylbenzamide?
The IUPAC name of 4-ethyl-N-formyl-2-methyl-N-propylbenzamide (CID 143638016) is 4-ethyl-N-formyl-2-methyl-N-propylbenzamide.
What is the SMILES notation for 4-ethyl-N-formyl-2-methyl-N-propylbenzamide?
The canonical SMILES for 4-ethyl-N-formyl-2-methyl-N-propylbenzamide is CCCN(C=O)C(=O)c1ccc(CC)cc1C.
What is the InChIKey of 4-ethyl-N-formyl-2-methyl-N-propylbenzamide?
The InChIKey is WBFISHZAVDFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-8-15(10-16)14(17)13-7-6-12(5-2)9-11(13)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 4-ethyl-N-formyl-2-methyl-N-propylbenzamide?
4-ethyl-N-formyl-2-methyl-N-propylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-formyl-2-methyl-N-propylbenzamide is sourced from PubChem (CID 143638016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).