N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide

C12H18N2O2 — CID 61348969

IUPACN-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
SMILESCCCN(CCN)C(=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-8-14(9-7-13)12(16)10-5-3-4-6-11(10)15/h3-6,15H,2,7-9,13H2,1H3
InChIKeyOSTGWOQCGWZISF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds5

About N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide

N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide (PubChem CID 61348969) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
PubChem CID61348969
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
SMILESCCCN(CCN)C(=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-8-14(9-7-13)12(16)10-5-3-4-6-11(10)15/h3-6,15H,2,7-9,13H2,1H3
InChIKeyOSTGWOQCGWZISF-UHFFFAOYSA-N
XLogP1.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-dipropylbenzamide
CID 16769117
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-(3-aminopropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 113281479
N-(3-aminopropyl)-2-hydroxy-3-methoxy-N-propylbenzamide
CID 43136539
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide (CID 61348969) is N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide is CCCN(CCN)C(=O)c1ccccc1O.
What is the InChIKey of N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide?
The InChIKey is OSTGWOQCGWZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-8-14(9-7-13)12(16)10-5-3-4-6-11(10)15/h3-6,15H,2,7-9,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide?
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide is sourced from PubChem (CID 61348969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).