4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide

C16H26N2O4 — CID 163196869

IUPAC4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide
SMILESCOCC(O)CCCCCONC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O4/c1-21-12-15(19)5-3-2-4-10-22-18-16(20)14-8-6-13(11-17)7-9-14/h6-9,15,19H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeyRGYFNZXOHKQQSN-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.37
Rot. Bonds11

About 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide

4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide (PubChem CID 163196869) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide
PubChem CID163196869
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide
SMILESCOCC(O)CCCCCONC(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O4/c1-21-12-15(19)5-3-2-4-10-22-18-16(20)14-8-6-13(11-17)7-9-14/h6-9,15,19H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeyRGYFNZXOHKQQSN-UHFFFAOYSA-N
XLogP1.37
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(aminomethyl)-N-(2-methylpropoxy)benzamide
CID 82721691
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl 5-benzamidooxypentanoate
CID 87652749
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide (CID 163196869) is 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide is COCC(O)CCCCCONC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide?
The InChIKey is RGYFNZXOHKQQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-21-12-15(19)5-3-2-4-10-22-18-16(20)14-8-6-13(11-17)7-9-14/h6-9,15,19H,2-5,10-12,17H2,1H3,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide?
4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide has a molecular weight of 310.39 g/mol, XLogP of 1.37, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide is sourced from PubChem (CID 163196869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).