N-prop-2-ynyl-5-pyren-1-ylpentanamide

C24H21NO — CID 102019675

IUPACN-prop-2-ynyl-5-pyren-1-ylpentanamide
SMILESC#CCNC(=O)CCCCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C24H21NO/c1-2-16-25-22(26)9-4-3-6-17-10-11-20-13-12-18-7-5-8-19-14-15-21(17)24(20)23(18)19/h1,5,7-8,10-15H,3-4,6,9,16H2,(H,25,26)
InChIKeyWOOSDFIHRTYNSS-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.05
Rot. Bonds6

About N-prop-2-ynyl-5-pyren-1-ylpentanamide

N-prop-2-ynyl-5-pyren-1-ylpentanamide (PubChem CID 102019675) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is N-prop-2-ynyl-5-pyren-1-ylpentanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-5-pyren-1-ylpentanamide
PubChem CID102019675
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC NameN-prop-2-ynyl-5-pyren-1-ylpentanamide
SMILESC#CCNC(=O)CCCCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C24H21NO/c1-2-16-25-22(26)9-4-3-6-17-10-11-20-13-12-18-7-5-8-19-14-15-21(17)24(20)23(18)19/h1,5,7-8,10-15H,3-4,6,9,16H2,(H,25,26)
InChIKeyWOOSDFIHRTYNSS-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyren-1-ylbutyl)hexanamide
CID 173264566
4-pyren-1-yl-N-tetradecylbutanamide
CID 100986528
N-(pyren-1-ylmethyl)hexanamide
CID 146294504
N-(1,3-dihydroxypropan-2-yl)-5-pyren-1-ylpentanamide
CID 155346566
N-[2,2-bis(hydroxymethyl)-3-(4-pyren-1-ylbutanoylamino)propyl]-4-pyren-1-ylbutanamide
CID 71346710
4-pyren-1-yl-N-[3-[2-[3-(4-pyren-1-ylbutanoylamino)propoxy]ethoxy]propyl]butanamide
CID 90292871
4-pyren-1-ylbutanoic acid
CID 158173508
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-cyclopenta-1,3-dien-1-yl-4-pyren-1-ylbutanamide
CID 177421250
N-(4-pyren-1-ylbutyl)ethanimine
CID 102513984

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-5-pyren-1-ylpentanamide?
The IUPAC name of N-prop-2-ynyl-5-pyren-1-ylpentanamide (CID 102019675) is N-prop-2-ynyl-5-pyren-1-ylpentanamide.
What is the SMILES notation for N-prop-2-ynyl-5-pyren-1-ylpentanamide?
The canonical SMILES for N-prop-2-ynyl-5-pyren-1-ylpentanamide is C#CCNC(=O)CCCCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-prop-2-ynyl-5-pyren-1-ylpentanamide?
The InChIKey is WOOSDFIHRTYNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-16-25-22(26)9-4-3-6-17-10-11-20-13-12-18-7-5-8-19-14-15-21(17)24(20)23(18)19/h1,5,7-8,10-15H,3-4,6,9,16H2,(H,25,26).
What are the key properties of N-prop-2-ynyl-5-pyren-1-ylpentanamide?
N-prop-2-ynyl-5-pyren-1-ylpentanamide has a molecular weight of 339.44 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-5-pyren-1-ylpentanamide is sourced from PubChem (CID 102019675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).