4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide

C20H31N3O5 — CID 110625284

IUPAC4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
SMILESCOc1ccc(CCCC(=O)NCC(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C20H31N3O5/c1-26-17-7-6-16(14-18(17)27-2)4-3-5-19(24)22-15-20(25)21-8-9-23-10-12-28-13-11-23/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVULQJXSGQJMCNS-UHFFFAOYSA-N
MW393.48 g/mol
LogP0.59
Rot. Bonds11

About 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide

4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide (PubChem CID 110625284) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
PubChem CID110625284
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
SMILESCOc1ccc(CCCC(=O)NCC(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C20H31N3O5/c1-26-17-7-6-16(14-18(17)27-2)4-3-5-19(24)22-15-20(25)21-8-9-23-10-12-28-13-11-23/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyVULQJXSGQJMCNS-UHFFFAOYSA-N
XLogP0.59
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide with MolForge

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39442278
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108836269
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide (CID 110625284) is 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide is COc1ccc(CCCC(=O)NCC(=O)NCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
The InChIKey is VULQJXSGQJMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-26-17-7-6-16(14-18(17)27-2)4-3-5-19(24)22-15-20(25)21-8-9-23-10-12-28-13-11-23/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide?
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide has a molecular weight of 393.48 g/mol, XLogP of 0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 110625284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).