4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide

C16H18N2O3 — CID 102695549

IUPAC4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide
SMILESCOc1ccc(O)c(NC(=O)c2ccc(CCN)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-6-7-15(19)14(10-13)18-16(20)12-4-2-11(3-5-12)8-9-17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyDFSFRKPJLZKVNY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.15
Rot. Bonds5

About 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide

4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide (PubChem CID 102695549) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide
PubChem CID102695549
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide
SMILESCOc1ccc(O)c(NC(=O)c2ccc(CCN)cc2)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-6-7-15(19)14(10-13)18-16(20)12-4-2-11(3-5-12)8-9-17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyDFSFRKPJLZKVNY-UHFFFAOYSA-N
XLogP2.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 17100277
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(2-hydroxy-5-propylphenyl)-4-(4-phenylbutoxy)benzamide
CID 15106554
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103956833
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide (CID 102695549) is 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide is COc1ccc(O)c(NC(=O)c2ccc(CCN)cc2)c1.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide?
The InChIKey is DFSFRKPJLZKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-13-6-7-15(19)14(10-13)18-16(20)12-4-2-11(3-5-12)8-9-17/h2-7,10,19H,8-9,17H2,1H3,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide?
4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide is sourced from PubChem (CID 102695549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).