N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

C25H35NO3 — CID 4953734

IUPACN-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-5-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)20(4)29-24-14-10-21(11-15-24)19(2)3/h10-17,19-20H,5-9,18H2,1-4H3,(H,26,27)
InChIKeyULISTWRQPPOKIQ-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.57
Rot. Bonds12

About N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 4953734) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID4953734
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-5-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)20(4)29-24-14-10-21(11-15-24)19(2)3/h10-17,19-20H,5-9,18H2,1-4H3,(H,26,27)
InChIKeyULISTWRQPPOKIQ-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide 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

(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
N-(4-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 4939762
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338
N-(4-chlorophenyl)-2-(4-propoxyphenoxy)propanamide
CID 67473723
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
pentyl 4-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267194
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 4953734) is N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is CCCCCCCOc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is ULISTWRQPPOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-5-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)20(4)29-24-14-10-21(11-15-24)19(2)3/h10-17,19-20H,5-9,18H2,1-4H3,(H,26,27).
What are the key properties of N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 397.56 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 4953734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).