N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C17H27N3O2 — CID 119506026

IUPACN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCCNCCNC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-5-18-10-11-19-17(22)15(12(2)3)20-16(21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyFTUJLWYYTVGNMF-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.48
Rot. Bonds8

About N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 119506026) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID119506026
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCCNCCNC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-5-18-10-11-19-17(22)15(12(2)3)20-16(21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyFTUJLWYYTVGNMF-UHFFFAOYSA-N
XLogP1.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
N-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]-4-methylbenzamide
CID 62854007
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119548129
N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 35613306
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
CID 119508620
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 55944241
N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55942890
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 51421726
4-ethoxy-N-[3-methyl-1-[2-(methylamino)ethylamino]-1-oxobutan-2-yl]benzamide
CID 119503972

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 119506026) is N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is CCNCCNC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C.
What is the InChIKey of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is FTUJLWYYTVGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-18-10-11-19-17(22)15(12(2)3)20-16(21)14-8-6-13(4)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 305.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 119506026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).