2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide

C13H19N3O3 — CID 106276358

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)C(N)=O)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-13(2,12(15)18)7-16-11(17)9-5-4-8(19-3)6-10(9)14/h4-6H,7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyKOTLPDPDHPNICS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide (PubChem CID 106276358) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
PubChem CID106276358
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)C(N)=O)c(N)c1
InChIInChI=1S/C13H19N3O3/c1-13(2,12(15)18)7-16-11(17)9-5-4-8(19-3)6-10(9)14/h4-6H,7,14H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyKOTLPDPDHPNICS-UHFFFAOYSA-N
XLogP0.52
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
methyl 3-[(2-amino-4-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107222746
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 115413099
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide (CID 106276358) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(C)(C)C(N)=O)c(N)c1.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide?
The InChIKey is KOTLPDPDHPNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,12(15)18)7-16-11(17)9-5-4-8(19-3)6-10(9)14/h4-6H,7,14H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-methoxybenzamide is sourced from PubChem (CID 106276358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).