N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide

C15H24N2O2 — CID 63754932

IUPACN-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCN)C(=O)c1ccc(C)cc1O
InChIInChI=1S/C15H24N2O2/c1-4-12(5-2)17(9-8-16)15(19)13-7-6-11(3)10-14(13)18/h6-7,10,12,18H,4-5,8-9,16H2,1-3H3
InChIKeyOKWPSSGPQRIKME-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.29
Rot. Bonds6

About N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide

N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide (PubChem CID 63754932) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide
PubChem CID63754932
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCN)C(=O)c1ccc(C)cc1O
InChIInChI=1S/C15H24N2O2/c1-4-12(5-2)17(9-8-16)15(19)13-7-6-11(3)10-14(13)18/h6-7,10,12,18H,4-5,8-9,16H2,1-3H3
InChIKeyOKWPSSGPQRIKME-UHFFFAOYSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-2-hydroxy-4-methyl-N-propan-2-ylbenzamide
CID 63393752
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 55241197
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-(2-aminoethyl)-5-ethyl-N-pentan-3-ylfuran-2-carboxamide
CID 79084484
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
3-amino-1-(2-hydroxy-4-methylphenyl)propan-1-one
CID 82600154
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide
CID 63754755
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide (CID 63754932) is N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCN)C(=O)c1ccc(C)cc1O.
What is the InChIKey of N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide?
The InChIKey is OKWPSSGPQRIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(5-2)17(9-8-16)15(19)13-7-6-11(3)10-14(13)18/h6-7,10,12,18H,4-5,8-9,16H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide?
N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.29, 6 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-4-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 63754932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).