N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride

C20H32ClN3O2 — CID 120649054

IUPACN-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)N1CC(C(=O)N(CCCN)Cc2ccccc2)CC1=O.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-3-18(4-2)23-15-17(13-19(23)24)20(25)22(12-8-11-21)14-16-9-6-5-7-10-16;/h5-7,9-10,17-18H,3-4,8,11-15,21H2,1-2H3;1H
InChIKeyPFINTJLMIPLVDF-UHFFFAOYSA-N
MW381.95 g/mol
LogP2.82
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120649054) has the molecular formula C20H32ClN3O2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID120649054
Molecular FormulaC20H32ClN3O2
Molecular Weight381.95 g/mol
Exact Mass381.22
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)N1CC(C(=O)N(CCCN)Cc2ccccc2)CC1=O.Cl
InChIInChI=1S/C20H31N3O2.ClH/c1-3-18(4-2)23-15-17(13-19(23)24)20(25)22(12-8-11-21)14-16-9-6-5-7-10-16;/h5-7,9-10,17-18H,3-4,8,11-15,21H2,1-2H3;1H
InChIKeyPFINTJLMIPLVDF-UHFFFAOYSA-N
XLogP2.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120648260
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 112826778
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
CID 70709021

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 120649054) is N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride is CCC(CC)N1CC(C(=O)N(CCCN)Cc2ccccc2)CC1=O.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PFINTJLMIPLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.ClH/c1-3-18(4-2)23-15-17(13-19(23)24)20(25)22(12-8-11-21)14-16-9-6-5-7-10-16;/h5-7,9-10,17-18H,3-4,8,11-15,21H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120649054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).