N-[4-(3-methoxypropylamino)phenyl]benzamide

C17H20N2O2 — CID 112981031

IUPACN-[4-(3-methoxypropylamino)phenyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-13-5-12-18-15-8-10-16(11-9-15)19-17(20)14-6-3-2-4-7-14/h2-4,6-11,18H,5,12-13H2,1H3,(H,19,20)
InChIKeyMGFCXJOSFVCOKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds7

About N-[4-(3-methoxypropylamino)phenyl]benzamide

N-[4-(3-methoxypropylamino)phenyl]benzamide (PubChem CID 112981031) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-(3-methoxypropylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypropylamino)phenyl]benzamide
PubChem CID112981031
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[4-(3-methoxypropylamino)phenyl]benzamide
SMILESCOCCCNc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-21-13-5-12-18-15-8-10-16(11-9-15)19-17(20)14-6-3-2-4-7-14/h2-4,6-11,18H,5,12-13H2,1H3,(H,19,20)
InChIKeyMGFCXJOSFVCOKQ-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
4-(4-methoxybutylamino)benzoic acid
CID 62232205
4-bromo-N-[4-(2-methoxyethylamino)phenyl]benzamide
CID 112980909
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521
N-(4-methoxybutyl)aniline
CID 13042774
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropylamino)phenyl]benzamide?
The IUPAC name of N-[4-(3-methoxypropylamino)phenyl]benzamide (CID 112981031) is N-[4-(3-methoxypropylamino)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-methoxypropylamino)phenyl]benzamide?
The canonical SMILES for N-[4-(3-methoxypropylamino)phenyl]benzamide is COCCCNc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-methoxypropylamino)phenyl]benzamide?
The InChIKey is MGFCXJOSFVCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-13-5-12-18-15-8-10-16(11-9-15)19-17(20)14-6-3-2-4-7-14/h2-4,6-11,18H,5,12-13H2,1H3,(H,19,20).
What are the key properties of N-[4-(3-methoxypropylamino)phenyl]benzamide?
N-[4-(3-methoxypropylamino)phenyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropylamino)phenyl]benzamide is sourced from PubChem (CID 112981031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).