4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C23H29N3O4 — CID 9481299

IUPAC4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-21-9-7-18(8-10-21)23(28)25-16-22(27)24-15-19-5-3-4-6-20(19)17-26-11-13-29-14-12-26/h3-10H,2,11-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPCIHWDVHYSXRKV-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.96
Rot. Bonds9

About 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 9481299) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID9481299
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-21-9-7-18(8-10-21)23(28)25-16-22(27)24-15-19-5-3-4-6-20(19)17-26-11-13-29-14-12-26/h3-10H,2,11-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyPCIHWDVHYSXRKV-UHFFFAOYSA-N
XLogP1.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 9149139
N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24551426
N-(4-ethoxyphenyl)-4-[[2-[2-(morpholin-4-ylmethyl)anilino]acetyl]amino]benzamide
CID 47064288
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 9481299) is 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is PCIHWDVHYSXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-30-21-9-7-18(8-10-21)23(28)25-16-22(27)24-15-19-5-3-4-6-20(19)17-26-11-13-29-14-12-26/h3-10H,2,11-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9481299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).