N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide

C12H18N2O2 — CID 112601877

IUPACN-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-8-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySFNSAFMGLITWEU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide

N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 112601877) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
PubChem CID112601877
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)16-8-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySFNSAFMGLITWEU-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
(E)-3-[3-[[(2-propan-2-yloxyacetyl)amino]methyl]phenyl]prop-2-enoic acid
CID 115949663
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686762
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide (CID 112601877) is N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is SFNSAFMGLITWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)16-8-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide?
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112601877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).