N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol

C17H29N3O3 — CID 171619171

IUPACN-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol
SMILESCc1ccc(OCC(=O)NCCN(C)C)cc1.OC1CCNC1
InChIInChI=1S/C13H20N2O2.C4H9NO/c1-11-4-6-12(7-5-11)17-10-13(16)14-8-9-15(2)3;6-4-1-2-5-3-4/h4-7H,8-10H2,1-3H3,(H,14,16);4-6H,1-3H2
InChIKeyJKVKDGHOFZWJGZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.39
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol

N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol (PubChem CID 171619171) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol
PubChem CID171619171
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol
SMILESCc1ccc(OCC(=O)NCCN(C)C)cc1.OC1CCNC1
InChIInChI=1S/C13H20N2O2.C4H9NO/c1-11-4-6-12(7-5-11)17-10-13(16)14-8-9-15(2)3;6-4-1-2-5-3-4/h4-7H,8-10H2,1-3H3,(H,14,16);4-6H,1-3H2
InChIKeyJKVKDGHOFZWJGZ-UHFFFAOYSA-N
XLogP0.39
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119751120
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113053433
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
CID 119304611

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol (CID 171619171) is N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol is Cc1ccc(OCC(=O)NCCN(C)C)cc1.OC1CCNC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol?
The InChIKey is JKVKDGHOFZWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C4H9NO/c1-11-4-6-12(7-5-11)17-10-13(16)14-8-9-15(2)3;6-4-1-2-5-3-4/h4-7H,8-10H2,1-3H3,(H,14,16);4-6H,1-3H2.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol?
N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol has a molecular weight of 323.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide;pyrrolidin-3-ol is sourced from PubChem (CID 171619171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).