3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide

C14H22N2O2 — CID 79027322

IUPAC3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(10-17)15-14(18)9-6-12-4-7-13(8-5-12)16(2)3/h4-5,7-8,11,17H,6,9-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyHJAKYGXOXFVGNI-LLVKDONJSA-N
MW250.34 g/mol
LogP1.18
Rot. Bonds6

About 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide

3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide (PubChem CID 79027322) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
PubChem CID79027322
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@H](CO)NC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11(10-17)15-14(18)9-6-12-4-7-13(8-5-12)16(2)3/h4-5,7-8,11,17H,6,9-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyHJAKYGXOXFVGNI-LLVKDONJSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide (CID 79027322) is 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide is C[C@H](CO)NC(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is HJAKYGXOXFVGNI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(10-17)15-14(18)9-6-12-4-7-13(8-5-12)16(2)3/h4-5,7-8,11,17H,6,9-10H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide?
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 79027322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).