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

C13H20N2O — CID 170891728

IUPAC4-(2-aminopropyl)-N-propan-2-ylbenzamide
SMILESCC(N)Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)15-13(16)12-6-4-11(5-7-12)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyAABRJGFOZOBKBY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds4

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

4-(2-aminopropyl)-N-propan-2-ylbenzamide (PubChem CID 170891728) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-propan-2-ylbenzamide
PubChem CID170891728
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2-aminopropyl)-N-propan-2-ylbenzamide
SMILESCC(N)Cc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C13H20N2O/c1-9(2)15-13(16)12-6-4-11(5-7-12)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyAABRJGFOZOBKBY-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
CID 115039039
sodium;hydride;4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
CID 175548560
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
2-[[1-carboxy-2-[4-(propan-2-ylcarbamoyl)phenyl]ethyl]amino]-4-methylpentanoic acid
CID 23573035
ethyl 4-[4-(2-aminopropyl)phenyl]benzoate
CID 14368632
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
[4-(2-aminopropyl)phenyl] carbamate
CID 57045083

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2-aminopropyl)-N-propan-2-ylbenzamide (CID 170891728) is 4-(2-aminopropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-aminopropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-aminopropyl)-N-propan-2-ylbenzamide is CC(N)Cc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-propan-2-ylbenzamide?
The InChIKey is AABRJGFOZOBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)15-13(16)12-6-4-11(5-7-12)8-10(3)14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-(2-aminopropyl)-N-propan-2-ylbenzamide?
4-(2-aminopropyl)-N-propan-2-ylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 170891728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).