N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide

C17H21N3O3 — CID 22026500

IUPACN-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cc(N)ccc2OCCO)cc1
InChIInChI=1S/C17H21N3O3/c1-12(22)20-15-5-2-13(3-6-15)11-19-16-10-14(18)4-7-17(16)23-9-8-21/h2-7,10,19,21H,8-9,11,18H2,1H3,(H,20,22)
InChIKeyWCRMJABCZWGRLI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds7

About N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide

N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide (PubChem CID 22026500) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
PubChem CID22026500
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cc(N)ccc2OCCO)cc1
InChIInChI=1S/C17H21N3O3/c1-12(22)20-15-5-2-13(3-6-15)11-19-16-10-14(18)4-7-17(16)23-9-8-21/h2-7,10,19,21H,8-9,11,18H2,1H3,(H,20,22)
InChIKeyWCRMJABCZWGRLI-UHFFFAOYSA-N
XLogP2.21
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol;hydrochloride
CID 22026554
2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518
3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
CID 69381115
2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026523
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
2-[4-amino-2-(1H-imidazol-2-ylmethylamino)phenoxy]ethanol
CID 22245315
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519
N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
CID 21325792
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide (CID 22026500) is N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2cc(N)ccc2OCCO)cc1.
What is the InChIKey of N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide?
The InChIKey is WCRMJABCZWGRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(22)20-15-5-2-13(3-6-15)11-19-16-10-14(18)4-7-17(16)23-9-8-21/h2-7,10,19,21H,8-9,11,18H2,1H3,(H,20,22).
What are the key properties of N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide?
N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide is sourced from PubChem (CID 22026500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).