3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide

C28H40N2O4 — CID 4661025

IUPAC3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCCCCCCNC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H40N2O4/c1-33-25-15-9-23(10-16-25)13-19-27(31)29-21-7-5-3-4-6-8-22-30-28(32)20-14-24-11-17-26(34-2)18-12-24/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyNMPBDFVUMGTQGU-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.84
Rot. Bonds17

About 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide

3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide (PubChem CID 4661025) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
PubChem CID4661025
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCCCCCCCNC(=O)CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C28H40N2O4/c1-33-25-15-9-23(10-16-25)13-19-27(31)29-21-7-5-3-4-6-8-22-30-28(32)20-14-24-11-17-26(34-2)18-12-24/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyNMPBDFVUMGTQGU-UHFFFAOYSA-N
XLogP4.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
tert-butyl N-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]-N-[6-[3-[3-(4-methoxyphenyl)propanoylamino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 86577062

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide (CID 4661025) is 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide is COc1ccc(CCC(=O)NCCCCCCCCNC(=O)CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide?
The InChIKey is NMPBDFVUMGTQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-33-25-15-9-23(10-16-25)13-19-27(31)29-21-7-5-3-4-6-8-22-30-28(32)20-14-24-11-17-26(34-2)18-12-24/h9-12,15-18H,3-8,13-14,19-22H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide?
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide has a molecular weight of 468.64 g/mol, XLogP of 4.84, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide is sourced from PubChem (CID 4661025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).