N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

C24H29F2N3O5 — CID 46448748

IUPACN-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccc(F)cc2F)N2CCOCC2)cc1OC
InChIInChI=1S/C24H29F2N3O5/c1-32-21-6-3-16(13-22(21)33-2)20(29-9-11-34-12-10-29)15-28-23(30)7-8-27-24(31)18-5-4-17(25)14-19(18)26/h3-6,13-14,20H,7-12,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIXFQWFXVMKGNDC-UHFFFAOYSA-N
MW477.51 g/mol
LogP2.29
Rot. Bonds10

About N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 46448748) has the molecular formula C24H29F2N3O5 and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID46448748
Molecular FormulaC24H29F2N3O5
Molecular Weight477.51 g/mol
Exact Mass477.21
IUPAC NameN-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccc(F)cc2F)N2CCOCC2)cc1OC
InChIInChI=1S/C24H29F2N3O5/c1-32-21-6-3-16(13-22(21)33-2)20(29-9-11-34-12-10-29)15-28-23(30)7-8-27-24(31)18-5-4-17(25)14-19(18)26/h3-6,13-14,20H,7-12,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyIXFQWFXVMKGNDC-UHFFFAOYSA-N
XLogP2.29
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
CID 24647897
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 46525247

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 46448748) is N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is COc1ccc(C(CNC(=O)CCNC(=O)c2ccc(F)cc2F)N2CCOCC2)cc1OC.
What is the InChIKey of N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is IXFQWFXVMKGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O5/c1-32-21-6-3-16(13-22(21)33-2)20(29-9-11-34-12-10-29)15-28-23(30)7-8-27-24(31)18-5-4-17(25)14-19(18)26/h3-6,13-14,20H,7-12,15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 477.51 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46448748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).