N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide

C24H25NO3 — CID 155346566

IUPACN-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide
SMILESO=C(CCCCc1ccc2ccc3cccc4ccc1c2c34)NC(CO)CO
InChIInChI=1S/C24H25NO3/c26-14-20(15-27)25-22(28)7-2-1-4-16-8-9-19-11-10-17-5-3-6-18-12-13-21(16)24(19)23(17)18/h3,5-6,8-13,20,26-27H,1-2,4,7,14-15H2,(H,25,28)
InChIKeyGISYFDVFDXXFOE-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.77
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide

N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide (PubChem CID 155346566) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide
PubChem CID155346566
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide
SMILESO=C(CCCCc1ccc2ccc3cccc4ccc1c2c34)NC(CO)CO
InChIInChI=1S/C24H25NO3/c26-14-20(15-27)25-22(28)7-2-1-4-16-8-9-19-11-10-17-5-3-6-18-12-13-21(16)24(19)23(17)18/h3,5-6,8-13,20,26-27H,1-2,4,7,14-15H2,(H,25,28)
InChIKeyGISYFDVFDXXFOE-UHFFFAOYSA-N
XLogP3.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide
CID 6723013
N-prop-2-ynyl-5-pyren-1-ylpentanamide
CID 102019675
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide
CID 6722997
N-(4-pyren-1-ylbutyl)hexanamide
CID 173264566
4-pyren-1-ylbutanoic acid
CID 158173508
N-[2,2-bis(hydroxymethyl)-3-(4-pyren-1-ylbutanoylamino)propyl]-4-pyren-1-ylbutanamide
CID 71346710
1-(22-pyren-1-yldocosyl)pyrene
CID 71394694
1-(7-pyren-1-ylheptyl)pyrene
CID 71394703
(Z)-18-pyren-1-yloctadec-9-enoic acid
CID 141412763
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-4-pyren-1-ylbutanamide
CID 5091298
4-pyren-1-yl-N-tetradecylbutanamide
CID 100986528
4-pyren-1-yl-N-[3-[2-[3-(4-pyren-1-ylbutanoylamino)propoxy]ethoxy]propyl]butanamide
CID 90292871

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide (CID 155346566) is N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide is O=C(CCCCc1ccc2ccc3cccc4ccc1c2c34)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide?
The InChIKey is GISYFDVFDXXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c26-14-20(15-27)25-22(28)7-2-1-4-16-8-9-19-11-10-17-5-3-6-18-12-13-21(16)24(19)23(17)18/h3,5-6,8-13,20,26-27H,1-2,4,7,14-15H2,(H,25,28).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide?
N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide has a molecular weight of 375.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide is sourced from PubChem (CID 155346566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).