2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C17H27N3O2 — CID 4260642

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN1CCCC1CNCC(=O)NCc1ccccc1OC
InChIInChI=1S/C17H27N3O2/c1-3-20-10-6-8-15(20)12-18-13-17(21)19-11-14-7-4-5-9-16(14)22-2/h4-5,7,9,15,18H,3,6,8,10-13H2,1-2H3,(H,19,21)
InChIKeyXXWSKWXJAVVBJF-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.39
Rot. Bonds8

About 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 4260642) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID4260642
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCN1CCCC1CNCC(=O)NCc1ccccc1OC
InChIInChI=1S/C17H27N3O2/c1-3-20-10-6-8-15(20)12-18-13-17(21)19-11-14-7-4-5-9-16(14)22-2/h4-5,7,9,15,18H,3,6,8,10-13H2,1-2H3,(H,19,21)
InChIKeyXXWSKWXJAVVBJF-UHFFFAOYSA-N
XLogP1.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111841486
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
CID 17215973
2-[2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986239
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
CID 97265260

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 4260642) is 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is CCN1CCCC1CNCC(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is XXWSKWXJAVVBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-20-10-6-8-15(20)12-18-13-17(21)19-11-14-7-4-5-9-16(14)22-2/h4-5,7,9,15,18H,3,6,8,10-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 4260642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).