N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide

C14H23N3O2 — CID 79383876

IUPACN-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C14H23N3O2/c1-14(2,19)10-16(3)9-13(18)17(4)12-7-5-11(15)6-8-12/h5-8,19H,9-10,15H2,1-4H3
InChIKeyCQJBWYFJYZBBHP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.93
Rot. Bonds5

About N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide

N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide (PubChem CID 79383876) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
PubChem CID79383876
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)c1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C14H23N3O2/c1-14(2,19)10-16(3)9-13(18)17(4)12-7-5-11(15)6-8-12/h5-8,19H,9-10,15H2,1-4H3
InChIKeyCQJBWYFJYZBBHP-UHFFFAOYSA-N
XLogP0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
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'}

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Related Compounds

N-(4-aminophenyl)-2-[3-(dimethylamino)propyl-methylamino]-N-methylacetamide
CID 63693206
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-(4-aminophenyl)-2-[cyclopentylmethyl(methyl)amino]-N-methylacetamide
CID 63630843
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 114948280
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
N-(4-aminophenyl)-2-[ethyl(propan-2-yl)amino]-N-methylacetamide
CID 43375898
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942
N-(4-aminophenyl)-2-[ethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 61444480

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide (CID 79383876) is N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide is CN(CC(=O)N(C)c1ccc(N)cc1)CC(C)(C)O.
What is the InChIKey of N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
The InChIKey is CQJBWYFJYZBBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,19)10-16(3)9-13(18)17(4)12-7-5-11(15)6-8-12/h5-8,19H,9-10,15H2,1-4H3.
What are the key properties of N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide?
N-(4-aminophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide has a molecular weight of 265.36 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)-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 79383876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).