N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C20H32ClN3O5 — CID 119571436

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C20H31N3O5.ClH/c1-6-20(7-2,12-21)22-19(25)13-8-17(24)23(11-13)14-9-15(26-3)18(28-5)16(10-14)27-4;/h9-10,13H,6-8,11-12,21H2,1-5H3,(H,22,25);1H
InChIKeyMNFKTQOHHMLIFD-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.12
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119571436) has the molecular formula C20H32ClN3O5 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119571436
Molecular FormulaC20H32ClN3O5
Molecular Weight429.95 g/mol
Exact Mass429.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl
InChIInChI=1S/C20H31N3O5.ClH/c1-6-20(7-2,12-21)22-19(25)13-8-17(24)23(11-13)14-9-15(26-3)18(28-5)16(10-14)27-4;/h9-10,13H,6-8,11-12,21H2,1-5H3,(H,22,25);1H
InChIKeyMNFKTQOHHMLIFD-UHFFFAOYSA-N
XLogP2.12
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride 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

N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[3-(aminomethyl)pentan-3-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119570475
N-[3-(aminomethyl)pentan-3-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119571342
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119571436) is N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MNFKTQOHHMLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5.ClH/c1-6-20(7-2,12-21)22-19(25)13-8-17(24)23(11-13)14-9-15(26-3)18(28-5)16(10-14)27-4;/h9-10,13H,6-8,11-12,21H2,1-5H3,(H,22,25);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119571436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).