N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide

C20H26N2O3 — CID 120569287

IUPACN-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1OCCC
InChIInChI=1S/C20H26N2O3/c1-4-10-24-18-9-7-15(12-19(18)25-11-5-2)20(23)22-17-13-16(21)8-6-14(17)3/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyKBBOHZUIBJHMQO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.41
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide

N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide (PubChem CID 120569287) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
PubChem CID120569287
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1OCCC
InChIInChI=1S/C20H26N2O3/c1-4-10-24-18-9-7-15(12-19(18)25-11-5-2)20(23)22-17-13-16(21)8-6-14(17)3/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyKBBOHZUIBJHMQO-UHFFFAOYSA-N
XLogP4.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
3-amino-N-(2-methyl-5-nitrophenyl)-4-propoxybenzamide
CID 110499809
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide (CID 120569287) is N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1OCCC.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide?
The InChIKey is KBBOHZUIBJHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-10-24-18-9-7-15(12-19(18)25-11-5-2)20(23)22-17-13-16(21)8-6-14(17)3/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide?
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 120569287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).