3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride

C18H23ClN2O3 — CID 119715062

IUPAC3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-3-4-10-23-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H
InChIKeyFWKDJFSGMOJTJU-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.13
Rot. Bonds7

About 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride

3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride (PubChem CID 119715062) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
PubChem CID119715062
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1cccc(N)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-3-4-10-23-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H
InChIKeyFWKDJFSGMOJTJU-UHFFFAOYSA-N
XLogP4.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
N-(2,5-dimethoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139561

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride (CID 119715062) is 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride is CCCCOc1ccc(OC)cc1NC(=O)c1cccc(N)c1.Cl.
What is the InChIKey of 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is FWKDJFSGMOJTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-3-4-10-23-17-9-8-15(22-2)12-16(17)20-18(21)13-6-5-7-14(19)11-13;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride?
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 119715062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).