4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide

C15H24N2O — CID 55161115

IUPAC4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-5-7-12(4)17-15(18)13-8-9-14(16-6-2)11(3)10-13/h8-10,12,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyKKPODSVFHHOXIY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.35
Rot. Bonds6

About 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide

4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide (PubChem CID 55161115) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
PubChem CID55161115
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(NCC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-5-7-12(4)17-15(18)13-8-9-14(16-6-2)11(3)10-13/h8-10,12,16H,5-7H2,1-4H3,(H,17,18)
InChIKeyKKPODSVFHHOXIY-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
3-methyl-4-nitro-N-[(2R)-pentan-2-yl]benzamide
CID 873806
3-methyl-4-(pentan-2-ylamino)benzoic acid
CID 43736098
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
4-(ethylamino)-N-hexan-2-yl-3-nitrobenzamide
CID 62200101
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide (CID 55161115) is 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(NCC)c(C)c1.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide?
The InChIKey is KKPODSVFHHOXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-7-12(4)17-15(18)13-8-9-14(16-6-2)11(3)10-13/h8-10,12,16H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide?
4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 55161115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).