N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide

C22H27N3O4 — CID 9222694

IUPACN-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H27N3O4/c1-16(26)20(13-17-7-5-4-6-8-17)24-22(28)15-25(2)14-21(27)23-18-9-11-19(29-3)12-10-18/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyQJXNJWXCFSEGKN-HXUWFJFHSA-N
MW397.48 g/mol
LogP1.88
Rot. Bonds10

About N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide

N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide (PubChem CID 9222694) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
PubChem CID9222694
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C22H27N3O4/c1-16(26)20(13-17-7-5-4-6-8-17)24-22(28)15-25(2)14-21(27)23-18-9-11-19(29-3)12-10-18/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyQJXNJWXCFSEGKN-HXUWFJFHSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42891198
methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxybenzoate
CID 7862103
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4841837
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054777

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide (CID 9222694) is N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide is COc1ccc(NC(=O)CN(C)CC(=O)N[C@H](Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide?
The InChIKey is QJXNJWXCFSEGKN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(26)20(13-17-7-5-4-6-8-17)24-22(28)15-25(2)14-21(27)23-18-9-11-19(29-3)12-10-18/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide?
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 9222694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).