N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride

C15H24ClN3O2 — CID 120560978

IUPACN-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11-3-6-13(7-4-11)15(20)18-10-9-17-14(19)8-5-12(2)16;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyPMQAGIPUYPNYKB-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.39
Rot. Bonds7

About N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride

N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride (PubChem CID 120560978) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
PubChem CID120560978
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11-3-6-13(7-4-11)15(20)18-10-9-17-14(19)8-5-12(2)16;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyPMQAGIPUYPNYKB-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.39
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

N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
N-[2-[(5-amino-2-methylpentanoyl)amino]ethyl]-4-methylbenzamide
CID 104684616
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
CID 60965779
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride (CID 120560978) is N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride?
The InChIKey is PMQAGIPUYPNYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11-3-6-13(7-4-11)15(20)18-10-9-17-14(19)8-5-12(2)16;/h3-4,6-7,12H,5,8-10,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride?
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 120560978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).