N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide

C17H20N2O2 — CID 61014053

IUPACN-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(11-13)17(21)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,18H2,1H3
InChIKeyCRHBUKFIXZDULT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide

N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide (PubChem CID 61014053) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
PubChem CID61014053
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCN)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(11-13)17(21)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,18H2,1H3
InChIKeyCRHBUKFIXZDULT-UHFFFAOYSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
N-benzyl-N-(2-bromoethyl)-2-fluoro-4-methylbenzamide
CID 80656052
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-(2-aminoethyl)-N-benzyl-2-fluoro-4-hydroxybenzamide
CID 107674367
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
N-(2-aminoethyl)-N-cyclopropyl-2-hydroxy-5-methylbenzamide
CID 61350342
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide (CID 61014053) is N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)N(CCN)Cc2ccccc2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide?
The InChIKey is CRHBUKFIXZDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-7-8-16(20)15(11-13)17(21)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide?
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 61014053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).