3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

C13H20N2O2 — CID 104550949

IUPAC3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(2)13(17)7-6-11-4-3-5-12(14)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3
InChIKeyVTFGAMWPEIEGDG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.04
Rot. Bonds5

About 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide

3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (PubChem CID 104550949) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
PubChem CID104550949
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
SMILESCC(CO)N(C)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C13H20N2O2/c1-10(9-16)15(2)13(17)7-6-11-4-3-5-12(14)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3
InChIKeyVTFGAMWPEIEGDG-UHFFFAOYSA-N
XLogP1.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.04
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

3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312
3-(3-aminophenyl)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 107732992
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
CID 80701573

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide (CID 104550949) is 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is CC(CO)N(C)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
The InChIKey is VTFGAMWPEIEGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-16)15(2)13(17)7-6-11-4-3-5-12(14)8-11/h3-5,8,10,16H,6-7,9,14H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide?
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 104550949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).