N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

C18H28ClN3O2 — CID 119540335

IUPACN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCNCC1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-3-5-15(6-4-14)7-8-17(22)20-12-18(23)21-10-9-16(13-21)11-19-2;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);1H
InChIKeyOSYDRDOHQIQUBV-UHFFFAOYSA-N
MW353.89 g/mol
LogP1.53
Rot. Bonds7

About N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride

N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119540335) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119540335
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCNCC1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-3-5-15(6-4-14)7-8-17(22)20-12-18(23)21-10-9-16(13-21)11-19-2;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);1H
InChIKeyOSYDRDOHQIQUBV-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119379387
3-(4-bromophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119541459
1-[2-[3-(4-methylphenyl)propanoylamino]acetyl]piperidine-4-carboxylic acid
CID 119166509
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 120657952
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119663051
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119632681
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride (CID 119540335) is N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is CNCC1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)C1.Cl.
What is the InChIKey of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is OSYDRDOHQIQUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-14-3-5-15(6-4-14)7-8-17(22)20-12-18(23)21-10-9-16(13-21)11-19-2;/h3-6,16,19H,7-13H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride?
N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119540335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).