N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

C16H24ClN3O2 — CID 119649550

IUPACN-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-9-3-4-15(19)11-17-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,18,20);1H
InChIKeyMKZJSHNDUIOAAS-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.57
Rot. Bonds5

About N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride

N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (PubChem CID 119649550) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
PubChem CID119649550
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc(CNC(C)=O)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-9-3-4-15(19)11-17-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,18,20);1H
InChIKeyMKZJSHNDUIOAAS-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
[4-(1,3-dithiolan-2-yl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650154
[4-(difluoromethylsulfonylmethyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652178
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061
[4-(difluoromethylsulfanyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650528
3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 119649146
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119652316
[4-(difluoromethylsulfonyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650091
[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 79029145

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride (CID 119649550) is N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is CNCC1CCCN1C(=O)c1ccc(CNC(C)=O)cc1.Cl.
What is the InChIKey of N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
The InChIKey is MKZJSHNDUIOAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(20)18-10-13-5-7-14(8-6-13)16(21)19-9-3-4-15(19)11-17-2;/h5-8,15,17H,3-4,9-11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride?
N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119649550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).