N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

C28H39N3O5 — CID 24647913

IUPACN-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2)C(C)CC)N2CCOCC2)cc1OC
InChIInChI=1S/C28H39N3O5/c1-5-20(3)26(30-27(32)21-10-8-7-9-11-21)28(33)29-19-23(31-14-16-35-17-15-31)22-12-13-24(36-6-2)25(18-22)34-4/h7-13,18,20,23,26H,5-6,14-17,19H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyVLPSAQLAWKCEKB-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.43
Rot. Bonds12

About N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 24647913) has the molecular formula C28H39N3O5 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID24647913
Molecular FormulaC28H39N3O5
Molecular Weight497.64 g/mol
Exact Mass497.29
IUPAC NameN-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCOc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2)C(C)CC)N2CCOCC2)cc1OC
InChIInChI=1S/C28H39N3O5/c1-5-20(3)26(30-27(32)21-10-8-7-9-11-21)28(33)29-19-23(31-14-16-35-17-15-31)22-12-13-24(36-6-2)25(18-22)34-4/h7-13,18,20,23,26H,5-6,14-17,19H2,1-4H3,(H,29,33)(H,30,32)
InChIKeyVLPSAQLAWKCEKB-UHFFFAOYSA-N
XLogP3.43
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
CID 24647897
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55347458
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 24647895
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 33262243
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
3-bromo-4-ethoxy-5-methoxy-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55660338

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 24647913) is N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is CCOc1ccc(C(CNC(=O)C(NC(=O)c2ccccc2)C(C)CC)N2CCOCC2)cc1OC.
What is the InChIKey of N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is VLPSAQLAWKCEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O5/c1-5-20(3)26(30-27(32)21-10-8-7-9-11-21)28(33)29-19-23(31-14-16-35-17-15-31)22-12-13-24(36-6-2)25(18-22)34-4/h7-13,18,20,23,26H,5-6,14-17,19H2,1-4H3,(H,29,33)(H,30,32).
What are the key properties of N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 497.64 g/mol, XLogP of 3.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24647913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).