4-(ethylamino)-2-methyl-N-pentylbenzamide

C15H24N2O — CID 113400130

IUPAC4-(ethylamino)-2-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(NCC)cc1C
InChIInChI=1S/C15H24N2O/c1-4-6-7-10-17-15(18)14-9-8-13(16-5-2)11-12(14)3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyRWCKDNPZFRQKJN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.35
Rot. Bonds7

About 4-(ethylamino)-2-methyl-N-pentylbenzamide

4-(ethylamino)-2-methyl-N-pentylbenzamide (PubChem CID 113400130) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(ethylamino)-2-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-2-methyl-N-pentylbenzamide
PubChem CID113400130
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(ethylamino)-2-methyl-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(NCC)cc1C
InChIInChI=1S/C15H24N2O/c1-4-6-7-10-17-15(18)14-9-8-13(16-5-2)11-12(14)3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyRWCKDNPZFRQKJN-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
N-(2,2-difluoroethyl)-4-(ethylamino)-2-methylbenzamide
CID 113400228
N-hexyl-2-methylbenzamide
CID 3017102
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103011268
N-ethyl-4-(ethylamino)-2-methyl-N-propylbenzamide
CID 113400156
N-pentyl-4-(propylamino)benzamide
CID 62185567
N-hexyl-3,4-dimethylbenzamide
CID 4523484
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methyl-N-pentylbenzamide?
The IUPAC name of 4-(ethylamino)-2-methyl-N-pentylbenzamide (CID 113400130) is 4-(ethylamino)-2-methyl-N-pentylbenzamide.
What is the SMILES notation for 4-(ethylamino)-2-methyl-N-pentylbenzamide?
The canonical SMILES for 4-(ethylamino)-2-methyl-N-pentylbenzamide is CCCCCNC(=O)c1ccc(NCC)cc1C.
What is the InChIKey of 4-(ethylamino)-2-methyl-N-pentylbenzamide?
The InChIKey is RWCKDNPZFRQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-6-7-10-17-15(18)14-9-8-13(16-5-2)11-12(14)3/h8-9,11,16H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of 4-(ethylamino)-2-methyl-N-pentylbenzamide?
4-(ethylamino)-2-methyl-N-pentylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methyl-N-pentylbenzamide is sourced from PubChem (CID 113400130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).