N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide

C26H30N2O3 — CID 55528750

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H30N2O3/c1-3-28(4-2)18-19-30-25-13-9-8-12-24(25)27-26(29)22-16-14-21(15-17-22)20-31-23-10-6-5-7-11-23/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
InChIKeyZMXRLCXDIONDPM-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.24
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide (PubChem CID 55528750) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
PubChem CID55528750
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H30N2O3/c1-3-28(4-2)18-19-30-25-13-9-8-12-24(25)27-26(29)22-16-14-21(15-17-22)20-31-23-10-6-5-7-11-23/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
InChIKeyZMXRLCXDIONDPM-UHFFFAOYSA-N
XLogP5.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
4-[2-[[4-[[4-(2-methylpropyl)phenyl]methoxy]benzoyl]amino]phenoxy]butanoic acid
CID 14620450
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
2-[2-(diethylamino)ethoxy]-N-(2-phenoxyphenyl)benzamide;hydron;chloride
CID 50986831
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808
N-[2-[2-(dimethylamino)ethoxy]phenyl]-4-phenylbenzamide
CID 18672579
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-(benzylamino)-N-[2-[2-(diethylamino)ethoxy]phenyl]-3-nitrobenzamide
CID 99182686
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide (CID 55528750) is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide is CCN(CC)CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide?
The InChIKey is ZMXRLCXDIONDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-28(4-2)18-19-30-25-13-9-8-12-24(25)27-26(29)22-16-14-21(15-17-22)20-31-23-10-6-5-7-11-23/h5-17H,3-4,18-20H2,1-2H3,(H,27,29).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 5.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 55528750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).