N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide

C15H22N2O3 — CID 114795924

IUPACN-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
SMILESCOc1ccc(NC(=O)COCCC2CCNC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14-4-2-13(3-5-14)17-15(18)11-20-9-7-12-6-8-16-10-12/h2-5,12,16H,6-11H2,1H3,(H,17,18)
InChIKeyWHNHGHHDBBTNDS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.65
Rot. Bonds7

About N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide

N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide (PubChem CID 114795924) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
PubChem CID114795924
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
SMILESCOc1ccc(NC(=O)COCCC2CCNC2)cc1
InChIInChI=1S/C15H22N2O3/c1-19-14-4-2-13(3-5-14)17-15(18)11-20-9-7-12-6-8-16-10-12/h2-5,12,16H,6-11H2,1H3,(H,17,18)
InChIKeyWHNHGHHDBBTNDS-UHFFFAOYSA-N
XLogP1.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
CID 114796128
N-(4-methoxyphenyl)-2-piperidin-3-yloxyacetamide
CID 43196810
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
CID 116605893
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
2-methoxy-N-[4-(piperidin-3-ylmethyl)phenyl]acetamide
CID 82260310
N-(4-chlorophenyl)-2-(piperidin-3-ylmethoxy)acetamide
CID 62341062
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide (CID 114795924) is N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide is COc1ccc(NC(=O)COCCC2CCNC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The InChIKey is WHNHGHHDBBTNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-4-2-13(3-5-14)17-15(18)11-20-9-7-12-6-8-16-10-12/h2-5,12,16H,6-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide is sourced from PubChem (CID 114795924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).