7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride

C18H28ClN3O2 — CID 119684692

IUPAC7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-16-10-5-4-9-15(16)18(23)21-13-7-8-14-21;/h4-5,9-10H,1-3,6-8,11-14,19H2,(H,20,22);1H
InChIKeyUQARHALFHGDTMY-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.19
Rot. Bonds8

About 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride

7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride (PubChem CID 119684692) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
PubChem CID119684692
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-16-10-5-4-9-15(16)18(23)21-13-7-8-14-21;/h4-5,9-10H,1-3,6-8,11-14,19H2,(H,20,22);1H
InChIKeyUQARHALFHGDTMY-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789366
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride (CID 119684692) is 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCC1.
What is the InChIKey of 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
The InChIKey is UQARHALFHGDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c19-12-6-2-1-3-11-17(22)20-16-10-5-4-9-15(16)18(23)21-13-7-8-14-21;/h4-5,9-10H,1-3,6-8,11-14,19H2,(H,20,22);1H.
What are the key properties of 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride?
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119684692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).