N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C23H36N2O3 — CID 171500112

IUPACN-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCCCCC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C23H36N2O3/c1-17(2)15-19-8-10-20(11-9-19)18(3)23(28)24-13-6-4-5-7-22(27)25-14-12-21(26)16-25/h8-11,17-18,21,26H,4-7,12-16H2,1-3H3,(H,24,28)
InChIKeyQVPXYCVAVDWKCA-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.26
Rot. Bonds10

About N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 171500112) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID171500112
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC NameN-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCCCCC(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C23H36N2O3/c1-17(2)15-19-8-10-20(11-9-19)18(3)23(28)24-13-6-4-5-7-22(27)25-14-12-21(26)16-25/h8-11,17-18,21,26H,4-7,12-16H2,1-3H3,(H,24,28)
InChIKeyQVPXYCVAVDWKCA-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
1-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]piperidine-4-carboxamide
CID 10270719
1-(3-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 110890167
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
1-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 111561727
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
2-[carboxymethyl-[8-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]octyl]amino]acetic acid
CID 170115875
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 171500112) is N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCCCCCC(=O)N2CCC(O)C2)cc1.
What is the InChIKey of N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is QVPXYCVAVDWKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-17(2)15-19-8-10-20(11-9-19)18(3)23(28)24-13-6-4-5-7-22(27)25-14-12-21(26)16-25/h8-11,17-18,21,26H,4-7,12-16H2,1-3H3,(H,24,28).
What are the key properties of N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 388.55 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxypyrrolidin-1-yl)-6-oxohexyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 171500112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).