3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide

C15H22N2O3 — CID 110643041

IUPAC3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide
SMILESO=C(CCOc1ccccc1)NOCCN1CCCC1
InChIInChI=1S/C15H22N2O3/c18-15(8-12-19-14-6-2-1-3-7-14)16-20-13-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-13H2,(H,16,18)
InChIKeyLPWOFZJFUPOWEJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds8

About 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide

3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide (PubChem CID 110643041) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide
PubChem CID110643041
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide
SMILESO=C(CCOc1ccccc1)NOCCN1CCCC1
InChIInChI=1S/C15H22N2O3/c18-15(8-12-19-14-6-2-1-3-7-14)16-20-13-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-13H2,(H,16,18)
InChIKeyLPWOFZJFUPOWEJ-UHFFFAOYSA-N
XLogP1.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643090
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
CID 110643034
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
ethane;N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 142596800
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The IUPAC name of 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide (CID 110643041) is 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide.
What is the SMILES notation for 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The canonical SMILES for 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide is O=C(CCOc1ccccc1)NOCCN1CCCC1.
What is the InChIKey of 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide?
The InChIKey is LPWOFZJFUPOWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-15(8-12-19-14-6-2-1-3-7-14)16-20-13-11-17-9-4-5-10-17/h1-3,6-7H,4-5,8-13H2,(H,16,18).
What are the key properties of 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide?
3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide is sourced from PubChem (CID 110643041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).