N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide

C14H20N2O3 — CID 15475907

IUPACN-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCOc1ccc(N)cc1NC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(17)8-13(18)16-10-7-9(15)5-6-11(10)19-4/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyQIBKNOFVALMFSR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.22
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide

N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide (PubChem CID 15475907) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
PubChem CID15475907
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
SMILESCOc1ccc(N)cc1NC(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(17)8-13(18)16-10-7-9(15)5-6-11(10)19-4/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyQIBKNOFVALMFSR-UHFFFAOYSA-N
XLogP2.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 54936528
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CID 107748768
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 18070557
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide (CID 15475907) is N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide is COc1ccc(N)cc1NC(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is QIBKNOFVALMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)12(17)8-13(18)16-10-7-9(15)5-6-11(10)19-4/h5-7H,8,15H2,1-4H3,(H,16,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide?
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 264.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 15475907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).