5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid

C16H22N2O5 — CID 27155299

IUPAC5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C16H22N2O5/c1-10(19)17-11-5-6-13(23-4)12(7-11)18-14(20)8-16(2,3)9-15(21)22/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKCCIDZUOBNXZLQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.48
Rot. Bonds7

About 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid

5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 27155299) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID27155299
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C16H22N2O5/c1-10(19)17-11-5-6-13(23-4)12(7-11)18-14(20)8-16(2,3)9-15(21)22/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyKCCIDZUOBNXZLQ-UHFFFAOYSA-N
XLogP2.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
4-[[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 24614766
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 3345535
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] propanoate
CID 9015180
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
5-[5-fluoro-2-(2-methoxyethoxy)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119109702

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid (CID 27155299) is 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid is COc1ccc(NC(C)=O)cc1NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is KCCIDZUOBNXZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10(19)17-11-5-6-13(23-4)12(7-11)18-14(20)8-16(2,3)9-15(21)22/h5-7H,8-9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 322.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 27155299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).