3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide

C12H18N2O2 — CID 107210300

IUPAC3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYNKCSXHSQAZVBR-SECBINFHSA-N
MW222.29 g/mol
LogP0.70
Rot. Bonds5

About 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide

3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide (PubChem CID 107210300) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
PubChem CID107210300
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyYNKCSXHSQAZVBR-SECBINFHSA-N
XLogP0.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
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-pentan-2-ylpropanamide
CID 43309032
(2R)-2-[3-(3-aminophenyl)propanoylamino]propanoic acid
CID 113290562
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
3-(3-aminophenyl)-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 115341637
3-(3-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 115341627
3-(3-aminophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 106347887
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301
3-(3-aminophenyl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]propanamide
CID 80695549
3-(3-aminophenyl)-N-(2-methylpropoxy)propanamide
CID 82721321
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
3-(3-aminophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281036
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide (CID 107210300) is 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide is C[C@H](CO)NC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is YNKCSXHSQAZVBR-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-15)14-12(16)6-5-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8,13H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 107210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).