2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide

C14H21N3O3 — CID 103154460

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
SMILESCOC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O3/c1-17(2)14(19)11-6-4-5-7-12(11)16-13(18)8-10(9-15)20-3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRGHWZYSDVQLNKL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.69
Rot. Bonds6

About 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide

2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide (PubChem CID 103154460) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
PubChem CID103154460
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
SMILESCOC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O3/c1-17(2)14(19)11-6-4-5-7-12(11)16-13(18)8-10(9-15)20-3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRGHWZYSDVQLNKL-UHFFFAOYSA-N
XLogP0.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
2-[(4-amino-3-methoxybutanoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 120586777
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide (CID 103154460) is 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide is COC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is RGHWZYSDVQLNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)14(19)11-6-4-5-7-12(11)16-13(18)8-10(9-15)20-3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide?
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 103154460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).