3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide

C37H56N2O6 — CID 54538637

IUPAC3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(=O)NC2CCCC2NC(=O)c2ccc(OCCCCCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C37H56N2O6/c1-5-7-9-11-13-15-24-44-32-22-20-28(26-34(32)42-3)36(40)38-30-18-17-19-31(30)39-37(41)29-21-23-33(35(27-29)43-4)45-25-16-14-12-10-8-6-2/h20-23,26-27,30-31H,5-19,24-25H2,1-4H3,(H,38,40)(H,39,41)
InChIKeyZBNSVKSUTWHDMZ-UHFFFAOYSA-N
MW624.86 g/mol
LogP8.26
Rot. Bonds22

About 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide

3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide (PubChem CID 54538637) has the molecular formula C37H56N2O6 and a molecular weight of 624.86 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
PubChem CID54538637
Molecular FormulaC37H56N2O6
Molecular Weight624.86 g/mol
Exact Mass624.41
IUPAC Name3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
SMILESCCCCCCCCOc1ccc(C(=O)NC2CCCC2NC(=O)c2ccc(OCCCCCCCC)c(OC)c2)cc1OC
InChIInChI=1S/C37H56N2O6/c1-5-7-9-11-13-15-24-44-32-22-20-28(26-34(32)42-3)36(40)38-30-18-17-19-31(30)39-37(41)29-21-23-33(35(27-29)43-4)45-25-16-14-12-10-8-6-2/h20-23,26-27,30-31H,5-19,24-25H2,1-4H3,(H,38,40)(H,39,41)
InChIKeyZBNSVKSUTWHDMZ-UHFFFAOYSA-N
XLogP8.26
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.86
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide with MolForge

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Related Compounds

4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
CID 95157803
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
CID 46469909
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dimethoxybenzamide
CID 654699
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide?
The IUPAC name of 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide (CID 54538637) is 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide?
The canonical SMILES for 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide is CCCCCCCCOc1ccc(C(=O)NC2CCCC2NC(=O)c2ccc(OCCCCCCCC)c(OC)c2)cc1OC.
What is the InChIKey of 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide?
The InChIKey is ZBNSVKSUTWHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N2O6/c1-5-7-9-11-13-15-24-44-32-22-20-28(26-34(32)42-3)36(40)38-30-18-17-19-31(30)39-37(41)29-21-23-33(35(27-29)43-4)45-25-16-14-12-10-8-6-2/h20-23,26-27,30-31H,5-19,24-25H2,1-4H3,(H,38,40)(H,39,41).
What are the key properties of 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide?
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide has a molecular weight of 624.86 g/mol, XLogP of 8.26, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide is sourced from PubChem (CID 54538637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).