N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide

C22H31N3O3 — CID 119163981

IUPACN-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(C)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C22H31N3O3/c1-16(23-20(15-25(2)3)17-9-7-6-8-10-17)13-22(26)24-19-14-18(27-4)11-12-21(19)28-5/h6-12,14,16,20,23H,13,15H2,1-5H3,(H,24,26)
InChIKeyMCHQZXMCDBVOMI-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.31
Rot. Bonds10

About N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide

N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide (PubChem CID 119163981) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
PubChem CID119163981
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(C)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C22H31N3O3/c1-16(23-20(15-25(2)3)17-9-7-6-8-10-17)13-22(26)24-19-14-18(27-4)11-12-21(19)28-5/h6-12,14,16,20,23H,13,15H2,1-5H3,(H,24,26)
InChIKeyMCHQZXMCDBVOMI-UHFFFAOYSA-N
XLogP3.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 97232185
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
(2S)-4-(2,5-dimethoxyanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid
CID 7591987
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide (CID 119163981) is N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide is COc1ccc(OC)c(NC(=O)CC(C)NC(CN(C)C)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide?
The InChIKey is MCHQZXMCDBVOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16(23-20(15-25(2)3)17-9-7-6-8-10-17)13-22(26)24-19-14-18(27-4)11-12-21(19)28-5/h6-12,14,16,20,23H,13,15H2,1-5H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide?
N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide has a molecular weight of 385.51 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide is sourced from PubChem (CID 119163981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).