N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide

C20H26N2O3 — CID 110018799

IUPACN-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
SMILESCOc1ccccc1CCCNc1cccc(C(=O)NCCO)c1C
InChIInChI=1S/C20H26N2O3/c1-15-17(20(24)22-13-14-23)9-5-10-18(15)21-12-6-8-16-7-3-4-11-19(16)25-2/h3-5,7,9-11,21,23H,6,8,12-14H2,1-2H3,(H,22,24)
InChIKeyBBHZJMAMYWMKDZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds9

About N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide

N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide (PubChem CID 110018799) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
PubChem CID110018799
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide
SMILESCOc1ccccc1CCCNc1cccc(C(=O)NCCO)c1C
InChIInChI=1S/C20H26N2O3/c1-15-17(20(24)22-13-14-23)9-5-10-18(15)21-12-6-8-16-7-3-4-11-19(16)25-2/h3-5,7,9-11,21,23H,6,8,12-14H2,1-2H3,(H,22,24)
InChIKeyBBHZJMAMYWMKDZ-UHFFFAOYSA-N
XLogP2.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide (CID 110018799) is N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide is COc1ccccc1CCCNc1cccc(C(=O)NCCO)c1C.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide?
The InChIKey is BBHZJMAMYWMKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-17(20(24)22-13-14-23)9-5-10-18(15)21-12-6-8-16-7-3-4-11-19(16)25-2/h3-5,7,9-11,21,23H,6,8,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide?
N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[3-(2-methoxyphenyl)propylamino]-2-methylbenzamide is sourced from PubChem (CID 110018799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).