4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide

C14H20N2O — CID 115039039

IUPAC4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)16-13(17)12-5-3-11(4-6-12)9-14(15)7-8-14/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyALKXHUORSYBPFJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds4

About 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide

4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide (PubChem CID 115039039) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
PubChem CID115039039
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)16-13(17)12-5-3-11(4-6-12)9-14(15)7-8-14/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyALKXHUORSYBPFJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;hydrochloride
CID 9703
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
4-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]thiane-4-carboxylic acid
CID 120531140
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-[[(3aS,6aS)-5-methylidene-3-oxo-1,4,6,6a-tetrahydrocyclopenta[c]furan-3a-yl]methyl]-N-propan-2-ylbenzamide
CID 59915081
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide (CID 115039039) is 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(CC2(N)CC2)cc1.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is ALKXHUORSYBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-13(17)12-5-3-11(4-6-12)9-14(15)7-8-14/h3-6,10H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide?
4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 115039039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).