N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide

C21H28N2O3 — CID 70967812

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
SMILESCCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-5-23(6-2)15-16-26-20-13-9-18(10-14-20)22(3)21(24)17-7-11-19(25-4)12-8-17/h7-14H,5-6,15-16H2,1-4H3
InChIKeyYUFONWFDQIGVGF-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.69
Rot. Bonds9

About N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide (PubChem CID 70967812) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
PubChem CID70967812
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
SMILESCCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-5-23(6-2)15-16-26-20-13-9-18(10-14-20)22(3)21(24)17-7-11-19(25-4)12-8-17/h7-14H,5-6,15-16H2,1-4H3
InChIKeyYUFONWFDQIGVGF-UHFFFAOYSA-N
XLogP3.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
CID 6913690
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-(diethylamino)ethyl 4-[[2-[4-[methyl-(4-methylbenzoyl)amino]phenoxy]acetyl]amino]benzoate
CID 4573768
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-methylsulfanylbenzamide
CID 78794109
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide (CID 70967812) is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide is CCN(CC)CCOc1ccc(N(C)C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide?
The InChIKey is YUFONWFDQIGVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-5-23(6-2)15-16-26-20-13-9-18(10-14-20)22(3)21(24)17-7-11-19(25-4)12-8-17/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide?
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 70967812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).