4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide

C22H29N3O3 — CID 87029422

IUPAC4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)11-12-24-21(26)14-25-19-13-18(22(27)23-3)9-10-20(19)28-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMRRLLKHPTZZHPD-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.95
Rot. Bonds9

About 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide

4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide (PubChem CID 87029422) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
PubChem CID87029422
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(OC)c(NCC(=O)NCCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)11-12-24-21(26)14-25-19-13-18(22(27)23-3)9-10-20(19)28-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyMRRLLKHPTZZHPD-UHFFFAOYSA-N
XLogP2.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55411502
3-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 96543997
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 86864013
3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]-N-propylbenzamide
CID 55897072
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 46607894
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 87001806
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
methyl 4-chloro-3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 109001310
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide (CID 87029422) is 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide is CNC(=O)c1ccc(OC)c(NCC(=O)NCCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide?
The InChIKey is MRRLLKHPTZZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)17-7-5-16(6-8-17)11-12-24-21(26)14-25-19-13-18(22(27)23-3)9-10-20(19)28-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide?
4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-[[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]amino]benzamide is sourced from PubChem (CID 87029422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).