N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide

C23H29N3O5 — CID 10365210

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C23H29N3O5/c1-29-20-7-6-17(14-21(20)30-2)8-9-24-22(27)16-25-19-5-3-4-18(15-19)23(28)26-10-12-31-13-11-26/h3-7,14-15,25H,8-13,16H2,1-2H3,(H,24,27)
InChIKeyHLOUBYKTXIBROE-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (PubChem CID 10365210) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
PubChem CID10365210
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
SMILESCOc1ccc(CCNC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)cc1OC
InChIInChI=1S/C23H29N3O5/c1-29-20-7-6-17(14-21(20)30-2)8-9-24-22(27)16-25-19-5-3-4-18(15-19)23(28)26-10-12-31-13-11-26/h3-7,14-15,25H,8-13,16H2,1-2H3,(H,24,27)
InChIKeyHLOUBYKTXIBROE-UHFFFAOYSA-N
XLogP1.95
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
sodium;3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide;methanesulfonate
CID 23709772
N-(2-methoxyethylcarbamoyl)-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 55896994
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-(2-phenylethyl)acetamide
CID 54843363
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9223601
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
N-(2-methoxyethyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54842818

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide (CID 10365210) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is COc1ccc(CCNC(=O)CNc2cccc(C(=O)N3CCOCC3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
The InChIKey is HLOUBYKTXIBROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-29-20-7-6-17(14-21(20)30-2)8-9-24-22(27)16-25-19-5-3-4-18(15-19)23(28)26-10-12-31-13-11-26/h3-7,14-15,25H,8-13,16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide has a molecular weight of 427.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide is sourced from PubChem (CID 10365210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).