(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide

C22H25NO2 — CID 138911230

IUPAC(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide
SMILESCC[C@@H](C#CCCCC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-18(19-11-7-4-8-12-19)10-6-5-9-13-22(24)23-20-14-16-21(25-2)17-15-20/h4,7-8,11-12,14-18H,3,5,9,13H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyYYPYTPPUWFFFBW-SFHVURJKSA-N
MW335.45 g/mol
LogP5.00
Rot. Bonds7

About (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide

(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide (PubChem CID 138911230) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide.

Molecular Properties

Compound Name(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide
PubChem CID138911230
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide
SMILESCC[C@@H](C#CCCCC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C22H25NO2/c1-3-18(19-11-7-4-8-12-19)10-6-5-9-13-22(24)23-20-14-16-21(25-2)17-15-20/h4,7-8,11-12,14-18H,3,5,9,13H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyYYPYTPPUWFFFBW-SFHVURJKSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide?
The IUPAC name of (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide (CID 138911230) is (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide.
What is the SMILES notation for (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide?
The canonical SMILES for (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide is CC[C@@H](C#CCCCC(=O)Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide?
The InChIKey is YYPYTPPUWFFFBW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-18(19-11-7-4-8-12-19)10-6-5-9-13-22(24)23-20-14-16-21(25-2)17-15-20/h4,7-8,11-12,14-18H,3,5,9,13H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide?
(7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide has a molecular weight of 335.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(4-methoxyphenyl)-7-phenylnon-5-ynamide is sourced from PubChem (CID 138911230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).