4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride

C19H25ClN2O3 — CID 119284799

IUPAC4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)12-17(18)21-19(22)15-7-5-14(13-20)6-8-15;/h5-10,12H,3-4,11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyGTXOHDHKAFSCFZ-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.01
Rot. Bonds8

About 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride

4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride (PubChem CID 119284799) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
PubChem CID119284799
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(CN)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)12-17(18)21-19(22)15-7-5-14(13-20)6-8-15;/h5-10,12H,3-4,11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyGTXOHDHKAFSCFZ-UHFFFAOYSA-N
XLogP4.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 35363555
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride (CID 119284799) is 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride is CCCCOc1ccc(OC)cc1NC(=O)c1ccc(CN)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is GTXOHDHKAFSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-3-4-11-24-18-10-9-16(23-2)12-17(18)21-19(22)15-7-5-14(13-20)6-8-15;/h5-10,12H,3-4,11,13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119284799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).