N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide

C20H26N2O4 — CID 119421219

IUPACN-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(OC)ccc2N)cc1OCC
InChIInChI=1S/C20H26N2O4/c1-4-6-11-26-18-10-7-14(12-19(18)25-5-2)20(23)22-17-13-15(24-3)8-9-16(17)21/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23)
InChIKeyRAIGXVJDNIIMKX-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.11
Rot. Bonds9

About N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide

N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide (PubChem CID 119421219) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
PubChem CID119421219
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(OC)ccc2N)cc1OCC
InChIInChI=1S/C20H26N2O4/c1-4-6-11-26-18-10-7-14(12-19(18)25-5-2)20(23)22-17-13-15(24-3)8-9-16(17)21/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23)
InChIKeyRAIGXVJDNIIMKX-UHFFFAOYSA-N
XLogP4.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
N-(2-amino-5-methoxyphenyl)-2-ethoxybenzamide
CID 63257836
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3-[(4-butoxy-3-ethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753995
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
CID 55674446
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide (CID 119421219) is N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide is CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2N)cc1OCC.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide?
The InChIKey is RAIGXVJDNIIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-6-11-26-18-10-7-14(12-19(18)25-5-2)20(23)22-17-13-15(24-3)8-9-16(17)21/h7-10,12-13H,4-6,11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide?
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide is sourced from PubChem (CID 119421219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).