2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C23H31N3O3 — CID 9025824

IUPAC2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N[C@H](C)c1ccc(C)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-26(15-23(28)25-20-8-7-9-21(13-20)29-5)14-22(27)24-18(4)19-11-10-16(2)17(3)12-19/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyTVYKJTSDZHRJCX-GOSISDBHSA-N
MW397.52 g/mol
LogP3.45
Rot. Bonds9

About 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9025824) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9025824
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N[C@H](C)c1ccc(C)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-26(15-23(28)25-20-8-7-9-21(13-20)29-5)14-22(27)24-18(4)19-11-10-16(2)17(3)12-19/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1
InChIKeyTVYKJTSDZHRJCX-GOSISDBHSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-ethylamino]acetamide
CID 55354382
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 46594882
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]amino]acetamide
CID 43021698
ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-(3-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945966

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 9025824) is 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N[C@H](C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is TVYKJTSDZHRJCX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-26(15-23(28)25-20-8-7-9-21(13-20)29-5)14-22(27)24-18(4)19-11-10-16(2)17(3)12-19/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)(H,25,28)/t18-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9025824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).