N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide

C28H32N4O4 — CID 47064288

IUPACN-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3CN3CCOCC3)cc2)cc1
InChIInChI=1S/C28H32N4O4/c1-2-36-25-13-11-24(12-14-25)31-28(34)21-7-9-23(10-8-21)30-27(33)19-29-26-6-4-3-5-22(26)20-32-15-17-35-18-16-32/h3-14,29H,2,15-20H2,1H3,(H,30,33)(H,31,34)
InChIKeyADCHDMYNUMKZPK-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.22
Rot. Bonds10

About N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide (PubChem CID 47064288) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide
PubChem CID47064288
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3CN3CCOCC3)cc2)cc1
InChIInChI=1S/C28H32N4O4/c1-2-36-25-13-11-24(12-14-25)31-28(34)21-7-9-23(10-8-21)30-27(33)19-29-26-6-4-3-5-22(26)20-32-15-17-35-18-16-32/h3-14,29H,2,15-20H2,1H3,(H,30,33)(H,31,34)
InChIKeyADCHDMYNUMKZPK-UHFFFAOYSA-N
XLogP4.22
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
4-[[2-(4-cyanoanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26437531
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide (CID 47064288) is N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3ccccc3CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide?
The InChIKey is ADCHDMYNUMKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-2-36-25-13-11-24(12-14-25)31-28(34)21-7-9-23(10-8-21)30-27(33)19-29-26-6-4-3-5-22(26)20-32-15-17-35-18-16-32/h3-14,29H,2,15-20H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide has a molecular weight of 488.59 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 47064288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).