4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide

C15H18N2O2 — CID 110794136

IUPAC4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)NCc1cc[nH]c1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-13-8-9-16-11-13)7-4-10-19-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,17,18)
InChIKeyPAPYYGHGIBAZLN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds7

About 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide

4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide (PubChem CID 110794136) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
PubChem CID110794136
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)NCc1cc[nH]c1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-13-8-9-16-11-13)7-4-10-19-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,17,18)
InChIKeyPAPYYGHGIBAZLN-UHFFFAOYSA-N
XLogP2.49
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385880
N-benzyl-4-[(4-oxo-1H-pyridin-3-yl)oxy]butanamide
CID 57066113
4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 110443440
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
3-(2-aminophenyl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384868

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide?
The IUPAC name of 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide (CID 110794136) is 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide is O=C(CCCOc1ccccc1)NCc1cc[nH]c1.
What is the InChIKey of 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide?
The InChIKey is PAPYYGHGIBAZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-12-13-8-9-16-11-13)7-4-10-19-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H,17,18).
What are the key properties of 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide?
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide is sourced from PubChem (CID 110794136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).