4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide

C13H18N2O2 — CID 107074108

IUPAC4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-8(9-3-4-9)15(2)13(17)10-5-6-11(14)12(16)7-10/h5-9,16H,3-4,14H2,1-2H3
InChIKeyRFADKFNIBJSPDA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.84
Rot. Bonds3

About 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide

4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide (PubChem CID 107074108) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
PubChem CID107074108
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H18N2O2/c1-8(9-3-4-9)15(2)13(17)10-5-6-11(14)12(16)7-10/h5-9,16H,3-4,14H2,1-2H3
InChIKeyRFADKFNIBJSPDA-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
N-(1-cyclopropylethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24658431
N-(1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762881
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
6-amino-5-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62156018
2-bromo-N-(1-cyclopropylethyl)-N-methylpyridine-4-carboxamide
CID 103752379
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
4-amino-N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzamide
CID 107075660
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223
3-amino-2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 113366949
5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420549

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide (CID 107074108) is 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
The InChIKey is RFADKFNIBJSPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(9-3-4-9)15(2)13(17)10-5-6-11(14)12(16)7-10/h5-9,16H,3-4,14H2,1-2H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide?
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).