2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide

C16H18N2O2 — CID 100803515

IUPAC2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
SMILESC[C@@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(19)13-4-8-15(9-5-13)18-16(20)10-12-2-6-14(17)7-3-12/h2-9,11,19H,10,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyJZSNGUCAPXJHEH-LLVKDONJSA-N
MW270.33 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide

2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide (PubChem CID 100803515) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
PubChem CID100803515
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
SMILESC[C@@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(19)13-4-8-15(9-5-13)18-16(20)10-12-2-6-14(17)7-3-12/h2-9,11,19H,10,17H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyJZSNGUCAPXJHEH-LLVKDONJSA-N
XLogP2.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2-phenylacetamide
CID 93090514
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide
CID 119769638
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54795816
N-[4-(1-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 16790462
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
4-aminophenol;N-(4-hydroxyphenyl)-2-phenylacetamide
CID 158944339
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide (CID 100803515) is 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide is C[C@@H](O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide?
The InChIKey is JZSNGUCAPXJHEH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(19)13-4-8-15(9-5-13)18-16(20)10-12-2-6-14(17)7-3-12/h2-9,11,19H,10,17H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide?
2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide is sourced from PubChem (CID 100803515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).