4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide

C16H25N3O2 — CID 65229718

IUPAC4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
SMILESCCCC(CN)C(=O)Nc1ccc(C(=O)NCC)cc1C
InChIInChI=1S/C16H25N3O2/c1-4-6-13(10-17)16(21)19-14-8-7-12(9-11(14)3)15(20)18-5-2/h7-9,13H,4-6,10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQUHPAJHUJGBLOI-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.06
Rot. Bonds7

About 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide

4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide (PubChem CID 65229718) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
PubChem CID65229718
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
SMILESCCCC(CN)C(=O)Nc1ccc(C(=O)NCC)cc1C
InChIInChI=1S/C16H25N3O2/c1-4-6-13(10-17)16(21)19-14-8-7-12(9-11(14)3)15(20)18-5-2/h7-9,13H,4-6,10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQUHPAJHUJGBLOI-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-ethyl-3-methylbenzamide
CID 63681118
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
4-[[2-(2-aminoethoxy)acetyl]amino]-N-ethyl-3-methylbenzamide
CID 79473931
3-[2-(aminomethyl)pentanoylamino]-4-fluorobenzoic acid
CID 65225321
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide (CID 65229718) is 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide is CCCC(CN)C(=O)Nc1ccc(C(=O)NCC)cc1C.
What is the InChIKey of 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide?
The InChIKey is QUHPAJHUJGBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-6-13(10-17)16(21)19-14-8-7-12(9-11(14)3)15(20)18-5-2/h7-9,13H,4-6,10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide?
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 65229718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).