4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide

C20H22N4O2 — CID 97088570

IUPAC4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16(17-9-11-18(12-10-17)24-14-13-21-23-24)22-20(25)8-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyAZVBDFGUVXFXHF-MRXNPFEDSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds8

About 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide

4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide (PubChem CID 97088570) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
PubChem CID97088570
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
SMILESC[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C20H22N4O2/c1-16(17-9-11-18(12-10-17)24-14-13-21-23-24)22-20(25)8-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyAZVBDFGUVXFXHF-MRXNPFEDSA-N
XLogP3.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
2-(4-ethoxyphenyl)sulfanyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 71909350
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]acetamide
CID 97244364
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 71909359
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide?
The IUPAC name of 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide (CID 97088570) is 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide is C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide?
The InChIKey is AZVBDFGUVXFXHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16(17-9-11-18(12-10-17)24-14-13-21-23-24)22-20(25)8-5-15-26-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide?
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide is sourced from PubChem (CID 97088570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).