4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide

C15H18N2O2 — CID 110443440

IUPAC4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)NCc1ccc[nH]1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-13-6-4-10-16-13)9-5-11-19-14-7-2-1-3-8-14/h1-4,6-8,10,16H,5,9,11-12H2,(H,17,18)
InChIKeyXRYPKLSGDUJKMN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.49
Rot. Bonds7

About 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide

4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide (PubChem CID 110443440) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
PubChem CID110443440
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide
SMILESO=C(CCCOc1ccccc1)NCc1ccc[nH]1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-13-6-4-10-16-13)9-5-11-19-14-7-2-1-3-8-14/h1-4,6-8,10,16H,5,9,11-12H2,(H,17,18)
InChIKeyXRYPKLSGDUJKMN-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

4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823
N-[(3-methylthiophen-2-yl)methyl]-4-phenoxybutanamide
CID 134056517

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide?
The IUPAC name of 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide (CID 110443440) is 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide is O=C(CCCOc1ccccc1)NCc1ccc[nH]1.
What is the InChIKey of 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide?
The InChIKey is XRYPKLSGDUJKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-12-13-6-4-10-16-13)9-5-11-19-14-7-2-1-3-8-14/h1-4,6-8,10,16H,5,9,11-12H2,(H,17,18).
What are the key properties of 4-phenoxy-N-(1H-pyrrol-2-ylmethyl)butanamide?
4-phenoxy-N-(1H-pyrrol-2-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-2-ylmethyl)butanamide is sourced from PubChem (CID 110443440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).