3-amino-4-(heptoxymethyl)benzamide

C15H24N2O2 — CID 43376790

IUPAC3-amino-4-(heptoxymethyl)benzamide
SMILESCCCCCCCOCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-9-19-11-13-8-7-12(15(17)18)10-14(13)16/h7-8,10H,2-6,9,11,16H2,1H3,(H2,17,18)
InChIKeyOPIXGCCJPMXKOE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.85
Rot. Bonds9

About 3-amino-4-(heptoxymethyl)benzamide

3-amino-4-(heptoxymethyl)benzamide (PubChem CID 43376790) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-(heptoxymethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(heptoxymethyl)benzamide
PubChem CID43376790
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-4-(heptoxymethyl)benzamide
SMILESCCCCCCCOCc1ccc(C(N)=O)cc1N
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-9-19-11-13-8-7-12(15(17)18)10-14(13)16/h7-8,10H,2-6,9,11,16H2,1H3,(H2,17,18)
InChIKeyOPIXGCCJPMXKOE-UHFFFAOYSA-N
XLogP2.85
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297
3-amino-4-[2-(3-methoxypropoxy)ethoxymethyl]benzamide
CID 103176862
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
3-amino-4-ethylbenzamide
CID 19977641
4-amino-3-(butoxymethyl)benzoic acid
CID 174748446
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
3-amino-4-butoxybenzamide
CID 43448596

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(heptoxymethyl)benzamide?
The IUPAC name of 3-amino-4-(heptoxymethyl)benzamide (CID 43376790) is 3-amino-4-(heptoxymethyl)benzamide.
What is the SMILES notation for 3-amino-4-(heptoxymethyl)benzamide?
The canonical SMILES for 3-amino-4-(heptoxymethyl)benzamide is CCCCCCCOCc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(heptoxymethyl)benzamide?
The InChIKey is OPIXGCCJPMXKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-9-19-11-13-8-7-12(15(17)18)10-14(13)16/h7-8,10H,2-6,9,11,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-4-(heptoxymethyl)benzamide?
3-amino-4-(heptoxymethyl)benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(heptoxymethyl)benzamide is sourced from PubChem (CID 43376790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).