N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide

C16H18N2O3 — CID 43297787

IUPACN-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2N)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-10(12-5-3-4-6-14(12)17)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyCRLUDKMNCXKWGD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide

N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 43297787) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
PubChem CID43297787
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2N)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-10(12-5-3-4-6-14(12)17)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyCRLUDKMNCXKWGD-UHFFFAOYSA-N
XLogP2.47
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 112836868
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
CID 26907594
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
N-[1-(2-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805368

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide (CID 43297787) is N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccccc2N)c(O)c1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is CRLUDKMNCXKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(12-5-3-4-6-14(12)17)18-16(20)13-8-7-11(21-2)9-15(13)19/h3-10,19H,17H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide?
N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 43297787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).