N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide

C14H22N2O3 — CID 81410812

IUPACN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCC(C)(C)CO)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,10-17)9-15-11-5-4-6-12(7-11)16-13(18)8-19-3/h4-7,15,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyRUQGJLYHCSDXGS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.70
Rot. Bonds7

About N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide

N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide (PubChem CID 81410812) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
PubChem CID81410812
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(NCC(C)(C)CO)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,10-17)9-15-11-5-4-6-12(7-11)16-13(18)8-19-3/h4-7,15,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyRUQGJLYHCSDXGS-UHFFFAOYSA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
2-(4-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 51121142
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
N-[3-[3-(4-chlorophenyl)prop-2-ynylamino]phenyl]-2-methoxyacetamide
CID 84586430
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide (CID 81410812) is N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(NCC(C)(C)CO)c1.
What is the InChIKey of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide?
The InChIKey is RUQGJLYHCSDXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,10-17)9-15-11-5-4-6-12(7-11)16-13(18)8-19-3/h4-7,15,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide?
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 81410812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).