N-[3-(3-methoxypropoxy)phenyl]benzamide

C17H19NO3 — CID 86997539

IUPACN-[3-(3-methoxypropoxy)phenyl]benzamide
SMILESCOCCCOc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-11-6-12-21-16-10-5-9-15(13-16)18-17(19)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChIKeyKYYXJNMMXYQPCN-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.35
Rot. Bonds7

About N-[3-(3-methoxypropoxy)phenyl]benzamide

N-[3-(3-methoxypropoxy)phenyl]benzamide (PubChem CID 86997539) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[3-(3-methoxypropoxy)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(3-methoxypropoxy)phenyl]benzamide
PubChem CID86997539
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[3-(3-methoxypropoxy)phenyl]benzamide
SMILESCOCCCOc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-11-6-12-21-16-10-5-9-15(13-16)18-17(19)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChIKeyKYYXJNMMXYQPCN-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-methoxypropoxy)phenyl]benzamide 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

N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxypropoxy)phenyl]benzamide?
The IUPAC name of N-[3-(3-methoxypropoxy)phenyl]benzamide (CID 86997539) is N-[3-(3-methoxypropoxy)phenyl]benzamide.
What is the SMILES notation for N-[3-(3-methoxypropoxy)phenyl]benzamide?
The canonical SMILES for N-[3-(3-methoxypropoxy)phenyl]benzamide is COCCCOc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3-methoxypropoxy)phenyl]benzamide?
The InChIKey is KYYXJNMMXYQPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-11-6-12-21-16-10-5-9-15(13-16)18-17(19)14-7-3-2-4-8-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-methoxypropoxy)phenyl]benzamide?
N-[3-(3-methoxypropoxy)phenyl]benzamide has a molecular weight of 285.34 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxypropoxy)phenyl]benzamide is sourced from PubChem (CID 86997539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).