5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride

C18H23ClN2O2 — CID 120625137

IUPAC5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
SMILESCCCCOc1cccc(NC(=O)c2cc(N)ccc2C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)17-11-14(19)9-8-13(17)2;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H
InChIKeyRGRIHXZGZAEQBR-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.43
Rot. Bonds6

About 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride

5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride (PubChem CID 120625137) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
PubChem CID120625137
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride
SMILESCCCCOc1cccc(NC(=O)c2cc(N)ccc2C)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)17-11-14(19)9-8-13(17)2;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H
InChIKeyRGRIHXZGZAEQBR-UHFFFAOYSA-N
XLogP4.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.43
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

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CID 120621130
N-(3-butoxyphenyl)-3-iodo-4-methylbenzamide
CID 17095050
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
CID 61103168
5-amino-2-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
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2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride (CID 120625137) is 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride is CCCCOc1cccc(NC(=O)c2cc(N)ccc2C)c1.Cl.
What is the InChIKey of 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride?
The InChIKey is RGRIHXZGZAEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-4-10-22-16-7-5-6-15(12-16)20-18(21)17-11-14(19)9-8-13(17)2;/h5-9,11-12H,3-4,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride?
5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-butoxyphenyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120625137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).