2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide

C24H31N3O5 — CID 42905308

IUPAC2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5/c1-30-19-9-7-18(8-10-19)21(27-13-15-32-16-14-27)17-26-23(28)11-12-25-24(29)20-5-3-4-6-22(20)31-2/h3-10,21H,11-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNXQYYNBHTHVPBZ-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.01
Rot. Bonds10

About 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 42905308) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID42905308
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1
InChIInChI=1S/C24H31N3O5/c1-30-19-9-7-18(8-10-19)21(27-13-15-32-16-14-27)17-26-23(28)11-12-25-24(29)20-5-3-4-6-22(20)31-2/h3-10,21H,11-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNXQYYNBHTHVPBZ-UHFFFAOYSA-N
XLogP2.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 112503598
2-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 18161663
4-bromo-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 24983116
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
CID 30314343
N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46448748
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide (CID 42905308) is 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide is COc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1.
What is the InChIKey of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is NXQYYNBHTHVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-19-9-7-18(8-10-19)21(27-13-15-32-16-14-27)17-26-23(28)11-12-25-24(29)20-5-3-4-6-22(20)31-2/h3-10,21H,11-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 42905308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).