4-amino-3-hydroxy-N,N-dipropylbenzamide

C13H20N2O2 — CID 22411148

IUPAC4-amino-3-hydroxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(17)10-5-6-11(14)12(16)9-10/h5-6,9,16H,3-4,7-8,14H2,1-2H3
InChIKeyBVKFXHGFBQTOKF-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.24
Rot. Bonds5

About 4-amino-3-hydroxy-N,N-dipropylbenzamide

4-amino-3-hydroxy-N,N-dipropylbenzamide (PubChem CID 22411148) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N,N-dipropylbenzamide
PubChem CID22411148
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-3-hydroxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(17)10-5-6-11(14)12(16)9-10/h5-6,9,16H,3-4,7-8,14H2,1-2H3
InChIKeyBVKFXHGFBQTOKF-UHFFFAOYSA-N
XLogP2.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.24
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

4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107074866
3-amino-N,N-dipropyl-4-(trifluoromethoxy)benzamide
CID 116628476
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
6-ethyl-N,N-dipropylnaphthalene-2-carboxamide
CID 153338338
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methylpropyl)benzamide
CID 107074624
N-(2-bromoethyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 80660405
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N,N-dipropylbenzamide?
The IUPAC name of 4-amino-3-hydroxy-N,N-dipropylbenzamide (CID 22411148) is 4-amino-3-hydroxy-N,N-dipropylbenzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N,N-dipropylbenzamide?
The canonical SMILES for 4-amino-3-hydroxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-3-hydroxy-N,N-dipropylbenzamide?
The InChIKey is BVKFXHGFBQTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15(8-4-2)13(17)10-5-6-11(14)12(16)9-10/h5-6,9,16H,3-4,7-8,14H2,1-2H3.
What are the key properties of 4-amino-3-hydroxy-N,N-dipropylbenzamide?
4-amino-3-hydroxy-N,N-dipropylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N,N-dipropylbenzamide is sourced from PubChem (CID 22411148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).