N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide

C26H37NO4 — CID 58090977

IUPACN-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide
SMILESO=C(CCCCCCC1=C(CC[C@@H](O)COc2ccccc2)CCC1=O)NCC1CC1
InChIInChI=1S/C26H37NO4/c28-22(19-31-23-8-4-3-5-9-23)16-14-21-15-17-25(29)24(21)10-6-1-2-7-11-26(30)27-18-20-12-13-20/h3-5,8-9,20,22,28H,1-2,6-7,10-19H2,(H,27,30)/t22-/m1/s1
InChIKeyPXTYNATYTOVJIK-JOCHJYFZSA-N
MW427.59 g/mol
LogP4.73
Rot. Bonds15

About N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide

N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide (PubChem CID 58090977) has the molecular formula C26H37NO4 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide
PubChem CID58090977
Molecular FormulaC26H37NO4
Molecular Weight427.59 g/mol
Exact Mass427.27
IUPAC NameN-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide
SMILESO=C(CCCCCCC1=C(CC[C@@H](O)COc2ccccc2)CCC1=O)NCC1CC1
InChIInChI=1S/C26H37NO4/c28-22(19-31-23-8-4-3-5-9-23)16-14-21-15-17-25(29)24(21)10-6-1-2-7-11-26(30)27-18-20-12-13-20/h3-5,8-9,20,22,28H,1-2,6-7,10-19H2,(H,27,30)/t22-/m1/s1
InChIKeyPXTYNATYTOVJIK-JOCHJYFZSA-N
XLogP4.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-7-[2-(4-methyl-6-phenylhexan-2-yl)-5-oxocyclopenten-1-yl]heptanamide
CID 123325627
7-[(1R,2R,3R,5S)-2-[(3R)-4-(3-chlorophenoxy)-3-hydroxybutyl]-3,5-dihydroxycyclopentyl]-N-(cyclopropylmethyl)heptanamide
CID 58090963
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
8-[2-[6-(3-chlorophenoxy)-5-hydroxyhexan-2-yl]-3,5-dihydroxycyclopentyl]-N-(cyclopropylmethyl)-7-methyloctanamide
CID 91560794
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
(Z)-N-(cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enamide
CID 95170523
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
N-cyclopropyl-7-[2-[(3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enamide
CID 146900868
7-[(1R)-1-butyl-2-(3-hydroxy-4-phenoxybutyl)-5-oxocyclopent-2-en-1-yl]heptanoic acid
CID 18636715
7-[(1R)-1-butyl-2-[(3S)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
CID 18636738
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide?
The IUPAC name of N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide (CID 58090977) is N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide?
The canonical SMILES for N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide is O=C(CCCCCCC1=C(CC[C@@H](O)COc2ccccc2)CCC1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide?
The InChIKey is PXTYNATYTOVJIK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37NO4/c28-22(19-31-23-8-4-3-5-9-23)16-14-21-15-17-25(29)24(21)10-6-1-2-7-11-26(30)27-18-20-12-13-20/h3-5,8-9,20,22,28H,1-2,6-7,10-19H2,(H,27,30)/t22-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide?
N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide has a molecular weight of 427.59 g/mol, XLogP of 4.73, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-[2-[(3R)-3-hydroxy-4-phenoxybutyl]-5-oxocyclopenten-1-yl]heptanamide is sourced from PubChem (CID 58090977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).