N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride

C20H27ClN2O4 — CID 142413498

IUPACN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride
SMILESCON(OCCc1ccc(OCCN(C)C)cc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-21(2)14-16-25-19-11-9-17(10-12-19)13-15-26-22(24-3)20(23)18-7-5-4-6-8-18;/h4-12H,13-16H2,1-3H3;1H
InChIKeyCAKQFVNEOMTPKF-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.23
Rot. Bonds10

About N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride

N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride (PubChem CID 142413498) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride
PubChem CID142413498
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride
SMILESCON(OCCc1ccc(OCCN(C)C)cc1)C(=O)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-21(2)14-16-25-19-11-9-17(10-12-19)13-15-26-22(24-3)20(23)18-7-5-4-6-8-18;/h4-12H,13-16H2,1-3H3;1H
InChIKeyCAKQFVNEOMTPKF-UHFFFAOYSA-N
XLogP3.23
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
4-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 57100920
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-one;hydrochloride
CID 3079549
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
4-[2-[4-(dimethylamino)phenyl]ethoxy]benzoic acid
CID 66812492

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride (CID 142413498) is N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride is CON(OCCc1ccc(OCCN(C)C)cc1)C(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride?
The InChIKey is CAKQFVNEOMTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-21(2)14-16-25-19-11-9-17(10-12-19)13-15-26-22(24-3)20(23)18-7-5-4-6-8-18;/h4-12H,13-16H2,1-3H3;1H.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride?
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethoxy]-N-methoxybenzamide;hydrochloride is sourced from PubChem (CID 142413498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).