4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide

C13H19N3O3 — CID 120591731

IUPAC4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C13H19N3O3/c1-8-5-9(3-4-11(8)13(15)18)16-12(17)6-10(7-14)19-2/h3-5,10H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyNSVUXISZLISPBO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.40
Rot. Bonds6

About 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide

4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide (PubChem CID 120591731) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
PubChem CID120591731
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(N)=O)c(C)c1
InChIInChI=1S/C13H19N3O3/c1-8-5-9(3-4-11(8)13(15)18)16-12(17)6-10(7-14)19-2/h3-5,10H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyNSVUXISZLISPBO-UHFFFAOYSA-N
XLogP0.40
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-amino-3-methoxybutanoyl)amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120592024
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
4-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-3-methoxybutanamide
CID 120593058
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide?
The IUPAC name of 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide (CID 120591731) is 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide.
What is the SMILES notation for 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide?
The canonical SMILES for 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide is COC(CN)CC(=O)Nc1ccc(C(N)=O)c(C)c1.
What is the InChIKey of 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide?
The InChIKey is NSVUXISZLISPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-9(3-4-11(8)13(15)18)16-12(17)6-10(7-14)19-2/h3-5,10H,6-7,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide?
4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxybutanoyl)amino]-2-methylbenzamide is sourced from PubChem (CID 120591731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).