N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide

C16H20N2O3 — CID 106279785

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C16H20N2O3/c1-16(2,15(21)17-3)11-18-14(20)13-8-4-6-12(10-13)7-5-9-19/h4,6,8,10,19H,9,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKWBAVQVASNMKNE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.53
Rot. Bonds4

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 106279785) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID106279785
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C16H20N2O3/c1-16(2,15(21)17-3)11-18-14(20)13-8-4-6-12(10-13)7-5-9-19/h4,6,8,10,19H,9,11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyKWBAVQVASNMKNE-UHFFFAOYSA-N
XLogP0.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754
4-(3-aminoprop-1-ynyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106279826
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106279641
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816695
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816355
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide (CID 106279785) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide is CNC(=O)C(C)(C)CNC(=O)c1cccc(C#CCO)c1.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is KWBAVQVASNMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,15(21)17-3)11-18-14(20)13-8-4-6-12(10-13)7-5-9-19/h4,6,8,10,19H,9,11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 106279785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).