N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride

C19H30ClN3O2 — CID 119540388

IUPACN,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)18(23)21(4)12-15-5-7-17(8-6-15)19(24)22-10-9-16(13-22)11-20-3;/h5-8,14,16,20H,9-13H2,1-4H3;1H
InChIKeyOSBCPBQIPPWNKK-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.40
Rot. Bonds6

About N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride

N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride (PubChem CID 119540388) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride
PubChem CID119540388
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-14(2)18(23)21(4)12-15-5-7-17(8-6-15)19(24)22-10-9-16(13-22)11-20-3;/h5-8,14,16,20H,9-13H2,1-4H3;1H
InChIKeyOSBCPBQIPPWNKK-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 119637144
N-[[4-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119518835
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 125146017
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
N-(2-aminoethyl)-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119480778
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 119540763

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride (CID 119540388) is N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride is CNCC1CCN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1.Cl.
What is the InChIKey of N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride?
The InChIKey is OSBCPBQIPPWNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-14(2)18(23)21(4)12-15-5-7-17(8-6-15)19(24)22-10-9-16(13-22)11-20-3;/h5-8,14,16,20H,9-13H2,1-4H3;1H.
What are the key properties of N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride?
N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119540388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).