N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide

C15H22N2O2 — CID 66195074

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-7-14(19-2)8-6-12)17-15(18)10-13-4-3-9-16-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyDMCQQYKYMDPRQH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 66195074) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID66195074
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)CC2CCCN2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-5-7-14(19-2)8-6-12)17-15(18)10-13-4-3-9-16-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyDMCQQYKYMDPRQH-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[4-(1-methoxyethenyl)phenyl]ethyl]-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 170764199
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713
2-(azetidin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66196031
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-[1-(4-pyridin-3-ylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897485
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 81368842

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 66195074) is N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is COc1ccc(C(C)NC(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is DMCQQYKYMDPRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-5-7-14(19-2)8-6-12)17-15(18)10-13-4-3-9-16-13/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 66195074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).