(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

C21H25N3O5 — CID 7044153

IUPAC(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27)/t20-/m1/s1
InChIKeyZNZKVPKZLVCBGE-HXUWFJFHSA-N
MW399.45 g/mol
LogP1.98
Rot. Bonds8

About (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (PubChem CID 7044153) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
PubChem CID7044153
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1
InChIInChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27)/t20-/m1/s1
InChIKeyZNZKVPKZLVCBGE-HXUWFJFHSA-N
XLogP1.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]carbamate
CID 18015184
2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 160994756
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781408
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
tert-butyl N-[2-[butyl-[1-(4-hydroxyphenyl)-2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018604
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 140781398
tert-butyl N-[2-[cyclopropyl-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 18016519
tert-butyl N-[2-[[1-(3,5-dimethylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]carbamate
CID 18017254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The IUPAC name of (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (CID 7044153) is (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.
What is the SMILES notation for (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The canonical SMILES for (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)N(C)C(=O)CNC(C)=O)cc1.
What is the InChIKey of (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
The InChIKey is ZNZKVPKZLVCBGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-14(25)22-13-19(26)24(2)20(15-5-9-17(28-3)10-6-15)21(27)23-16-7-11-18(29-4)12-8-16/h5-12,20H,13H2,1-4H3,(H,22,25)(H,23,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7044153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).