N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C22H29N3O3 — CID 3648768

IUPACN-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(2)17-9-11-18(12-10-17)23-21(26)14-25(3)15-22(27)24-19-7-6-8-20(13-19)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCSTFMQDFWXRKGW-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.72
Rot. Bonds9

About N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 3648768) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID3648768
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-16(2)17-9-11-18(12-10-17)23-21(26)14-25(3)15-22(27)24-19-7-6-8-20(13-19)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyCSTFMQDFWXRKGW-UHFFFAOYSA-N
XLogP3.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 3648768) is N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is CCC(C)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is CSTFMQDFWXRKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-16(2)17-9-11-18(12-10-17)23-21(26)14-25(3)15-22(27)24-19-7-6-8-20(13-19)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 3648768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).