N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride

C18H30ClN3O2 — CID 20846546

IUPACN-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCN(CCN1CCCC1)CC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-19(12-13-21-10-6-7-11-21)16-18(22)20(2)14-15-23-17-8-4-3-5-9-17;/h3-5,8-9H,6-7,10-16H2,1-2H3;1H
InChIKeyDLMMDSGUXDOJPH-UHFFFAOYSA-N
MW355.91 g/mol
LogP1.97
Rot. Bonds9

About N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride

N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride (PubChem CID 20846546) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride
PubChem CID20846546
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC NameN-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride
SMILESCN(CCN1CCCC1)CC(=O)N(C)CCOc1ccccc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-19(12-13-21-10-6-7-11-21)16-18(22)20(2)14-15-23-17-8-4-3-5-9-17;/h3-5,8-9H,6-7,10-16H2,1-2H3;1H
InChIKeyDLMMDSGUXDOJPH-UHFFFAOYSA-N
XLogP1.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-tert-butylsulfanyl-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781233
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
N,N-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 78792872
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903953
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The IUPAC name of N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride (CID 20846546) is N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride is CN(CCN1CCCC1)CC(=O)N(C)CCOc1ccccc1.Cl.
What is the InChIKey of N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride?
The InChIKey is DLMMDSGUXDOJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-19(12-13-21-10-6-7-11-21)16-18(22)20(2)14-15-23-17-8-4-3-5-9-17;/h3-5,8-9H,6-7,10-16H2,1-2H3;1H.
What are the key properties of N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride?
N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 1.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 20846546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).