N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide

C26H35N3O5 — CID 24647897

IUPACN-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(C(CNC(=O)CCNC(=O)c2cccc(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C26H35N3O5/c1-4-34-23-9-8-20(17-24(23)32-3)22(29-12-14-33-15-13-29)18-28-25(30)10-11-27-26(31)21-7-5-6-19(2)16-21/h5-9,16-17,22H,4,10-15,18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyQJMYQWKSUNRMNI-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.71
Rot. Bonds11

About N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide

N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide (PubChem CID 24647897) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
PubChem CID24647897
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC NameN-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
SMILESCCOc1ccc(C(CNC(=O)CCNC(=O)c2cccc(C)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C26H35N3O5/c1-4-34-23-9-8-20(17-24(23)32-3)22(29-12-14-33-15-13-29)18-28-25(30)10-11-27-26(31)21-7-5-6-19(2)16-21/h5-9,16-17,22H,4,10-15,18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyQJMYQWKSUNRMNI-UHFFFAOYSA-N
XLogP2.71
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide 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
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24647913
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 45354263
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55660338
N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46448748

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide (CID 24647897) is N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide is CCOc1ccc(C(CNC(=O)CCNC(=O)c2cccc(C)c2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide?
The InChIKey is QJMYQWKSUNRMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-4-34-23-9-8-20(17-24(23)32-3)22(29-12-14-33-15-13-29)18-28-25(30)10-11-27-26(31)21-7-5-6-19(2)16-21/h5-9,16-17,22H,4,10-15,18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide?
N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide has a molecular weight of 469.58 g/mol, XLogP of 2.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 24647897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).