N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide

C15H23N3O2 — CID 63107753

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-5-10-16-13-9-7-6-8-12(13)14(19)17-11(2)15(20)18(3)4/h6-9,11,16H,5,10H2,1-4H3,(H,17,19)
InChIKeyIVELZYCCZGNRPM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds6

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide (PubChem CID 63107753) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
PubChem CID63107753
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)C(=O)N(C)C
InChIInChI=1S/C15H23N3O2/c1-5-10-16-13-9-7-6-8-12(13)14(19)17-11(2)15(20)18(3)4/h6-9,11,16H,5,10H2,1-4H3,(H,17,19)
InChIKeyIVELZYCCZGNRPM-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 62174346
ethyl 2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63108435
N-(2-hydroxypropyl)-N-methyl-2-(propylamino)benzamide
CID 55061041
N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)benzamide
CID 62176701
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
methyl (2S)-2-[[2-(ethylamino)benzoyl]amino]propanoate
CID 63107958
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide (CID 63107753) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NC(C)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
The InChIKey is IVELZYCCZGNRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-10-16-13-9-7-6-8-12(13)14(19)17-11(2)15(20)18(3)4/h6-9,11,16H,5,10H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide is sourced from PubChem (CID 63107753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).