N-(4-phenoxyphenyl)-2-(propylamino)acetamide

C17H20N2O2 — CID 54818609

IUPACN-(4-phenoxyphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-13-17(20)19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyJHBMKIJEZUHCHJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.42
Rot. Bonds7

About N-(4-phenoxyphenyl)-2-(propylamino)acetamide

N-(4-phenoxyphenyl)-2-(propylamino)acetamide (PubChem CID 54818609) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(propylamino)acetamide
PubChem CID54818609
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-phenoxyphenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-13-17(20)19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20)
InChIKeyJHBMKIJEZUHCHJ-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.42
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-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
CID 54818682
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
1-[4-[[2-(propylamino)acetyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 115913919
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4222608
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
butyl 4-[[2-(propylamino)acetyl]amino]benzoate
CID 60648371
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2-(propylamino)-N-[2-[[2-(propylamino)acetyl]amino]phenyl]acetamide;hydrochloride
CID 54601113

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(propylamino)acetamide (CID 54818609) is N-(4-phenoxyphenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(propylamino)acetamide?
The InChIKey is JHBMKIJEZUHCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-18-13-17(20)19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3,(H,19,20).
What are the key properties of N-(4-phenoxyphenyl)-2-(propylamino)acetamide?
N-(4-phenoxyphenyl)-2-(propylamino)acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 54818609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).