N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide

C15H21N3O3 — CID 108943910

IUPACN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-11(19)12-5-4-6-13(9-12)17-15(21)10-14(20)16-7-8-18(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyUASVYONPCDTRDE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds7

About N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide

N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide (PubChem CID 108943910) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
PubChem CID108943910
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)NCCN(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-11(19)12-5-4-6-13(9-12)17-15(21)10-14(20)16-7-8-18(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyUASVYONPCDTRDE-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
3-N-(3-acetylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053236
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
N-(3-acetylphenyl)propanamide
CID 903063
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956149
methyl 3-[[3-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109053241
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
4-(3-acetylanilino)-2-methylidene-4-oxobutanoic acid
CID 102132384

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide (CID 108943910) is N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide is CC(=O)c1cccc(NC(=O)CC(=O)NCCN(C)C)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The InChIKey is UASVYONPCDTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)12-5-4-6-13(9-12)17-15(21)10-14(20)16-7-8-18(2)3/h4-6,9H,7-8,10H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide has a molecular weight of 291.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide is sourced from PubChem (CID 108943910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).