3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide

C24H25NO4 — CID 55431173

IUPAC3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCOc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO4/c1-27-23-17-20(13-14-22(23)29-18-19-9-4-2-5-10-19)24(26)25-15-8-16-28-21-11-6-3-7-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26)
InChIKeyBUQBGZRKGLLHQO-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.47
Rot. Bonds10

About 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide

3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide (PubChem CID 55431173) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
PubChem CID55431173
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCOc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H25NO4/c1-27-23-17-20(13-14-22(23)29-18-19-9-4-2-5-10-19)24(26)25-15-8-16-28-21-11-6-3-7-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26)
InChIKeyBUQBGZRKGLLHQO-UHFFFAOYSA-N
XLogP4.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide (CID 55431173) is 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCCOc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide?
The InChIKey is BUQBGZRKGLLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-27-23-17-20(13-14-22(23)29-18-19-9-4-2-5-10-19)24(26)25-15-8-16-28-21-11-6-3-7-12-21/h2-7,9-14,17H,8,15-16,18H2,1H3,(H,25,26).
What are the key properties of 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide?
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 55431173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).