3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

C16H27N3O — CID 47182779

IUPAC3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-13(2)19(5)11-7-10-17-16(20)14-8-6-9-15(12-14)18(3)4/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,17,20)
InChIKeyHLRCLSWGTJEWAL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.21
Rot. Bonds7

About 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (PubChem CID 47182779) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
PubChem CID47182779
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCC(C)N(C)CCCNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-13(2)19(5)11-7-10-17-16(20)14-8-6-9-15(12-14)18(3)4/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,17,20)
InChIKeyHLRCLSWGTJEWAL-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
3-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 25335787
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (CID 47182779) is 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is CC(C)N(C)CCCNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The InChIKey is HLRCLSWGTJEWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19(5)11-7-10-17-16(20)14-8-6-9-15(12-14)18(3)4/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 47182779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).