N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide

C20H26N2O2 — CID 54814878

IUPACN-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
SMILESCCC(C)Oc1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)24-19-11-9-18(10-12-19)22-20(23)15-21-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyYXTRPQCXAATKHI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.63
Rot. Bonds9

About N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide

N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide (PubChem CID 54814878) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
PubChem CID54814878
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide
SMILESCCC(C)Oc1ccc(NC(=O)CNCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-3-16(2)24-19-11-9-18(10-12-19)22-20(23)15-21-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyYXTRPQCXAATKHI-UHFFFAOYSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
CID 54818682
N-(4-butan-2-yloxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877407
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)-3-phenylpropanamide;hydrochloride
CID 119298178
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
5-(4-butan-2-yloxyanilino)-5-oxopentanoic acid
CID 17160602
N-[(3-butan-2-yloxyphenyl)methyl]-2-phenylethanamine
CID 54804849
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide (CID 54814878) is N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide is CCC(C)Oc1ccc(NC(=O)CNCCc2ccccc2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide?
The InChIKey is YXTRPQCXAATKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-16(2)24-19-11-9-18(10-12-19)22-20(23)15-21-14-13-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3,(H,22,23).
What are the key properties of N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide?
N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 54814878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).