N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide

C16H18N2O3 — CID 61220987

IUPACN-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(N)cc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-6-7-14(15(19)10-13)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyFXRGQXNTENVCAV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide

N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 61220987) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID61220987
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(N)cc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-21-13-6-7-14(15(19)10-13)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,19H,8-9,17H2,1H3,(H,18,20)
InChIKeyFXRGQXNTENVCAV-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27884454
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-aminophenyl)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500100
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide (CID 61220987) is N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCc2ccc(N)cc2)c(O)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is FXRGQXNTENVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-13-6-7-14(15(19)10-13)16(20)18-9-8-11-2-4-12(17)5-3-11/h2-7,10,19H,8-9,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 61220987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).