2-[[4-(dimethylamino)benzoyl]amino]propanediamide

C12H16N4O3 — CID 25471332

IUPAC2-[[4-(dimethylamino)benzoyl]amino]propanediamide
SMILESCN(C)c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N4O3/c1-16(2)8-5-3-7(4-6-8)12(19)15-9(10(13)17)11(14)18/h3-6,9H,1-2H3,(H2,13,17)(H2,14,18)(H,15,19)
InChIKeyDARDIONBAXALFI-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.18
Rot. Bonds5

About 2-[[4-(dimethylamino)benzoyl]amino]propanediamide

2-[[4-(dimethylamino)benzoyl]amino]propanediamide (PubChem CID 25471332) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)benzoyl]amino]propanediamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)benzoyl]amino]propanediamide
PubChem CID25471332
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name2-[[4-(dimethylamino)benzoyl]amino]propanediamide
SMILESCN(C)c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N4O3/c1-16(2)8-5-3-7(4-6-8)12(19)15-9(10(13)17)11(14)18/h3-6,9H,1-2H3,(H2,13,17)(H2,14,18)(H,15,19)
InChIKeyDARDIONBAXALFI-UHFFFAOYSA-N
XLogP-1.18
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
CID 114305447
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)benzoyl]amino]propanediamide?
The IUPAC name of 2-[[4-(dimethylamino)benzoyl]amino]propanediamide (CID 25471332) is 2-[[4-(dimethylamino)benzoyl]amino]propanediamide.
What is the SMILES notation for 2-[[4-(dimethylamino)benzoyl]amino]propanediamide?
The canonical SMILES for 2-[[4-(dimethylamino)benzoyl]amino]propanediamide is CN(C)c1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)benzoyl]amino]propanediamide?
The InChIKey is DARDIONBAXALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-16(2)8-5-3-7(4-6-8)12(19)15-9(10(13)17)11(14)18/h3-6,9H,1-2H3,(H2,13,17)(H2,14,18)(H,15,19).
What are the key properties of 2-[[4-(dimethylamino)benzoyl]amino]propanediamide?
2-[[4-(dimethylamino)benzoyl]amino]propanediamide has a molecular weight of 264.29 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)benzoyl]amino]propanediamide is sourced from PubChem (CID 25471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).