N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide

C13H20N2O3 — CID 79726380

IUPACN-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CCN)C(C)C)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(2)15(7-6-14)13(17)10-4-5-12(18-3)11(16)8-10/h4-5,8-9,16H,6-7,14H2,1-3H3
InChIKeyPUWQFLXTARZQKG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.21
Rot. Bonds5

About N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide

N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 79726380) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
PubChem CID79726380
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CCN)C(C)C)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(2)15(7-6-14)13(17)10-4-5-12(18-3)11(16)8-10/h4-5,8-9,16H,6-7,14H2,1-3H3
InChIKeyPUWQFLXTARZQKG-UHFFFAOYSA-N
XLogP1.21
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79725497
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-amino-2-hydroxyiminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79731686
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-bromoethyl)-3-fluoro-4-methoxy-N-propan-2-ylbenzamide
CID 80665485
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-propylbenzamide
CID 79725829
N-(2-aminoethyl)-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 61349332
N-(3-aminopropyl)-3-hydroxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 79725938
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide (CID 79726380) is N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CCN)C(C)C)cc1O.
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is PUWQFLXTARZQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)15(7-6-14)13(17)10-4-5-12(18-3)11(16)8-10/h4-5,8-9,16H,6-7,14H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide?
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 79726380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).