4-(3-phenoxypropylamino)benzamide

C16H18N2O2 — CID 60678988

IUPAC4-(3-phenoxypropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCOc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-16(19)13-7-9-14(10-8-13)18-11-4-12-20-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-12H2,(H2,17,19)
InChIKeyKRRJENKFAGTPBK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds7

About 4-(3-phenoxypropylamino)benzamide

4-(3-phenoxypropylamino)benzamide (PubChem CID 60678988) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3-phenoxypropylamino)benzamide.

Molecular Properties

Compound Name4-(3-phenoxypropylamino)benzamide
PubChem CID60678988
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(3-phenoxypropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCOc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-16(19)13-7-9-14(10-8-13)18-11-4-12-20-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-12H2,(H2,17,19)
InChIKeyKRRJENKFAGTPBK-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
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

N-[4-(3-phenoxypropylamino)phenyl]acetamide
CID 60678376
1-O-(2-anilinoethyl) 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 163743019
[4-(12-anilinododecoxy)phenyl]-phenylmethanone
CID 15398969
3-(3-phenoxypropylamino)benzoic acid
CID 82096044
4-[3-(4-tert-butylanilino)propoxy]benzoic acid
CID 14882817
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
methyl 3-(3-phenoxypropylamino)benzoate
CID 82096562
2-methyl-4-(3-phenoxypropylamino)benzoic acid
CID 81273769
2-amino-4-(3-phenoxypropylamino)benzoic acid
CID 104500559
4-(4-aminobutylamino)benzamide
CID 117097342
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
4-(4-phenylbutoxy)benzamide
CID 11963163

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxypropylamino)benzamide?
The IUPAC name of 4-(3-phenoxypropylamino)benzamide (CID 60678988) is 4-(3-phenoxypropylamino)benzamide.
What is the SMILES notation for 4-(3-phenoxypropylamino)benzamide?
The canonical SMILES for 4-(3-phenoxypropylamino)benzamide is NC(=O)c1ccc(NCCCOc2ccccc2)cc1.
What is the InChIKey of 4-(3-phenoxypropylamino)benzamide?
The InChIKey is KRRJENKFAGTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16(19)13-7-9-14(10-8-13)18-11-4-12-20-15-5-2-1-3-6-15/h1-3,5-10,18H,4,11-12H2,(H2,17,19).
What are the key properties of 4-(3-phenoxypropylamino)benzamide?
4-(3-phenoxypropylamino)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxypropylamino)benzamide is sourced from PubChem (CID 60678988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).