2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C27H31N3O3 — CID 46594882

IUPAC2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-3-30(19-26(31)28-23-15-10-16-24(18-23)33-2)20-27(32)29-25(22-13-8-5-9-14-22)17-21-11-6-4-7-12-21/h4-16,18,25H,3,17,19-20H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyBUXSPDRAQQFSPR-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.06
Rot. Bonds11

About 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 46594882) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID46594882
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3/c1-3-30(19-26(31)28-23-15-10-16-24(18-23)33-2)20-27(32)29-25(22-13-8-5-9-14-22)17-21-11-6-4-7-12-21/h4-16,18,25H,3,17,19-20H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyBUXSPDRAQQFSPR-UHFFFAOYSA-N
XLogP4.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025824
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 46594882) is 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is BUXSPDRAQQFSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-3-30(19-26(31)28-23-15-10-16-24(18-23)33-2)20-27(32)29-25(22-13-8-5-9-14-22)17-21-11-6-4-7-12-21/h4-16,18,25H,3,17,19-20H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 445.56 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46594882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).