4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide

C23H29N3O4 — CID 9149139

IUPAC4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-20-10-8-19(9-11-20)23(28)24-16-22(27)25-21(18-6-4-3-5-7-18)17-26-12-14-29-15-13-26/h3-11,21H,2,12-17H2,1H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyXMBOFSZDAOERQZ-NRFANRHFSA-N
MW411.50 g/mol
LogP2.00
Rot. Bonds9

About 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 9149139) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
PubChem CID9149139
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4/c1-2-30-20-10-8-19(9-11-20)23(28)24-16-22(27)25-21(18-6-4-3-5-7-18)17-26-12-14-29-15-13-26/h3-11,21H,2,12-17H2,1H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyXMBOFSZDAOERQZ-NRFANRHFSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-2-(4-phenylphenoxy)acetamide
CID 9149042
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 47011909
2-(3,4-dimethylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148831
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide (CID 9149139) is 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XMBOFSZDAOERQZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-2-30-20-10-8-19(9-11-20)23(28)24-16-22(27)25-21(18-6-4-3-5-7-18)17-26-12-14-29-15-13-26/h3-11,21H,2,12-17H2,1H3,(H,24,28)(H,25,27)/t21-/m0/s1.
What are the key properties of 4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.00, 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-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9149139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).