4-(dimethylamino)-N-propan-2-ylbenzamide

C12H18N2O — CID 18712040

IUPAC4-(dimethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)13-12(15)10-5-7-11(8-6-10)14(3)4/h5-9H,1-4H3,(H,13,15)
InChIKeyWSMQEWFLOVXOQM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.89
Rot. Bonds3

About 4-(dimethylamino)-N-propan-2-ylbenzamide

4-(dimethylamino)-N-propan-2-ylbenzamide (PubChem CID 18712040) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(dimethylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-propan-2-ylbenzamide
PubChem CID18712040
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(dimethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-9(2)13-12(15)10-5-7-11(8-6-10)14(3)4/h5-9H,1-4H3,(H,13,15)
InChIKeyWSMQEWFLOVXOQM-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
CID 114305447
4-chloro-N-propan-2-ylbenzamide
CID 24045
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-propan-2-ylbenzamide (CID 18712040) is 4-(dimethylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-propan-2-ylbenzamide?
The InChIKey is WSMQEWFLOVXOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)13-12(15)10-5-7-11(8-6-10)14(3)4/h5-9H,1-4H3,(H,13,15).
What are the key properties of 4-(dimethylamino)-N-propan-2-ylbenzamide?
4-(dimethylamino)-N-propan-2-ylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 18712040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).