2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C17H27N3O2 — CID 91841682

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCC(N(C)C)C2)c1
InChIInChI=1S/C17H27N3O2/c1-19(2)15-8-10-20(12-15)13-17(21)18-9-7-14-5-4-6-16(11-14)22-3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,18,21)
InChIKeyFQAROKSMTYDGPN-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.99
Rot. Bonds7

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 91841682) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID91841682
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CN2CCC(N(C)C)C2)c1
InChIInChI=1S/C17H27N3O2/c1-19(2)15-8-10-20(12-15)13-17(21)18-9-7-14-5-4-6-16(11-14)22-3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,18,21)
InChIKeyFQAROKSMTYDGPN-UHFFFAOYSA-N
XLogP0.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124852434
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760381
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 110754764
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 91841682) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CN2CCC(N(C)C)C2)c1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is FQAROKSMTYDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)15-8-10-20(12-15)13-17(21)18-9-7-14-5-4-6-16(11-14)22-3/h4-6,11,15H,7-10,12-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 91841682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).