N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide

C15H21NO — CID 166826538

IUPACN,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide
SMILESCC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H21NO/c1-10(2)13-9-14(13)11-5-7-12(8-6-11)15(17)16(3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m1/s1
InChIKeyJBGCAQAUNQRJTK-ZIAGYGMSSA-N
MW231.34 g/mol
LogP3.15
Rot. Bonds3

About N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide

N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide (PubChem CID 166826538) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide
PubChem CID166826538
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide
SMILESCC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C15H21NO/c1-10(2)13-9-14(13)11-5-7-12(8-6-11)15(17)16(3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m1/s1
InChIKeyJBGCAQAUNQRJTK-ZIAGYGMSSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-dimethylazetidin-1-yl)-[4-[(1S,2R)-2-propan-2-ylcyclopropyl]phenyl]methanone
CID 166826528
4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
CID 177300842
N,N-dimethyl-4-(2-methylpiperidin-4-yl)benzamide;ethane
CID 177354214
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
(1R)-1-[(1R,2S)-2-[4-(dimethylamino)phenyl]cyclopropyl]ethanol
CID 95002836
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
(1R)-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]ethanol
CID 28912369
4-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-N,N-dimethylbenzamide;4-[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-N,N-dimethylbenzamide
CID 158523651
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
N,N-dimethyl-4-propan-2-ylbenzamide;1-[4-(4-propan-2-ylphenyl)piperidin-1-yl]propan-1-one
CID 160992069

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide (CID 166826538) is N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide is CC(C)[C@H]1C[C@@H]1c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide?
The InChIKey is JBGCAQAUNQRJTK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO/c1-10(2)13-9-14(13)11-5-7-12(8-6-11)15(17)16(3)4/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide?
N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide has a molecular weight of 231.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S,2R)-2-propan-2-ylcyclopropyl]benzamide is sourced from PubChem (CID 166826538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).