N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide

C12H18N2O3 — CID 156575277

IUPACN-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide
SMILESCC(O)CC(=O)N(C)OCc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3/c1-9(15)7-12(16)14(2)17-8-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3
InChIKeyDOOSXNLGQKKHGD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.93
Rot. Bonds5

About N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide

N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide (PubChem CID 156575277) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide
PubChem CID156575277
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide
SMILESCC(O)CC(=O)N(C)OCc1ccc(N)cc1
InChIInChI=1S/C12H18N2O3/c1-9(15)7-12(16)14(2)17-8-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3
InChIKeyDOOSXNLGQKKHGD-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
(4-aminophenyl)methyl N-methyl-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 144988687
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
benzyl 3-hydroxybutanoate
CID 562226
2-(4-aminophenyl)-N-(1-cyclopropylethyl)-N-methylacetamide
CID 43568614
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770
2-(4-aminophenyl)-N-ethyl-N-(1-ethylsulfonylpropan-2-yl)acetamide
CID 119786192
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963307

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide?
The IUPAC name of N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide (CID 156575277) is N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide?
The canonical SMILES for N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide is CC(O)CC(=O)N(C)OCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide?
The InChIKey is DOOSXNLGQKKHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(15)7-12(16)14(2)17-8-10-3-5-11(13)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide?
N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methoxy]-3-hydroxy-N-methylbutanamide is sourced from PubChem (CID 156575277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).