3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide

C16H18N2O3 — CID 43498531

IUPAC3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccccc2)cc1N
InChIInChI=1S/C16H18N2O3/c1-21-15-8-7-12(9-13(15)17)16(20)18-10-14(19)11-5-3-2-4-6-11/h2-9,14,19H,10,17H2,1H3,(H,18,20)
InChIKeySHCQFJYWTZGZCM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide

3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide (PubChem CID 43498531) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
PubChem CID43498531
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2ccccc2)cc1N
InChIInChI=1S/C16H18N2O3/c1-21-15-8-7-12(9-13(15)17)16(20)18-10-14(19)11-5-3-2-4-6-11/h2-9,14,19H,10,17H2,1H3,(H,18,20)
InChIKeySHCQFJYWTZGZCM-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide (CID 43498531) is 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)c2ccccc2)cc1N.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide?
The InChIKey is SHCQFJYWTZGZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-15-8-7-12(9-13(15)17)16(20)18-10-14(19)11-5-3-2-4-6-11/h2-9,14,19H,10,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide?
3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-phenylethyl)-4-methoxybenzamide is sourced from PubChem (CID 43498531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).