4-hexoxy-3-methoxy-N-phenylmethoxybenzamide

C21H27NO4 — CID 55338649

IUPAC4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-3-4-5-9-14-25-19-13-12-18(15-20(19)24-2)21(23)22-26-16-17-10-7-6-8-11-17/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,22,23)
InChIKeyVPROGVKBSLRZFL-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.52
Rot. Bonds11

About 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide

4-hexoxy-3-methoxy-N-phenylmethoxybenzamide (PubChem CID 55338649) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
PubChem CID55338649
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1OC
InChIInChI=1S/C21H27NO4/c1-3-4-5-9-14-25-19-13-12-18(15-20(19)24-2)21(23)22-26-16-17-10-7-6-8-11-17/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,22,23)
InChIKeyVPROGVKBSLRZFL-UHFFFAOYSA-N
XLogP4.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3,4-bis(2-methoxyethoxymethoxy)-N-phenylmethoxybenzamide
CID 131887821
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665
6-methoxyhexyl 4-hexoxy-3-methoxybenzoate
CID 121336036
N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxybenzamide
CID 19015126
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
N-(3-methoxy-4-tetradecoxybenzoyl)pyridine-4-carboxamide
CID 10027642
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide
CID 19015376
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide?
The IUPAC name of 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide (CID 55338649) is 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide?
The canonical SMILES for 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide is CCCCCCOc1ccc(C(=O)NOCc2ccccc2)cc1OC.
What is the InChIKey of 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide?
The InChIKey is VPROGVKBSLRZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-3-4-5-9-14-25-19-13-12-18(15-20(19)24-2)21(23)22-26-16-17-10-7-6-8-11-17/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3,(H,22,23).
What are the key properties of 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide?
4-hexoxy-3-methoxy-N-phenylmethoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.52, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-methoxy-N-phenylmethoxybenzamide is sourced from PubChem (CID 55338649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).