N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide

C24H46N2O2 — CID 54064102

IUPACN-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide
SMILESCCCCCCC=C[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C24H46N2O2/c1-4-5-6-7-8-11-14-21-17-18-23(27)22(21)15-12-9-10-13-16-24(28)25-19-20-26(2)3/h11,14,21-23,27H,4-10,12-13,15-20H2,1-3H3,(H,25,28)/t21-,22+,23+/m0/s1
InChIKeyMBSZYALSUJVKMG-YTFSRNRJSA-N
MW394.64 g/mol
LogP4.92
Rot. Bonds16

About N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide

N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide (PubChem CID 54064102) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide
PubChem CID54064102
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC NameN-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide
SMILESCCCCCCC=C[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)NCCN(C)C
InChIInChI=1S/C24H46N2O2/c1-4-5-6-7-8-11-14-21-17-18-23(27)22(21)15-12-9-10-13-16-24(28)25-19-20-26(2)3/h11,14,21-23,27H,4-10,12-13,15-20H2,1-3H3,(H,25,28)/t21-,22+,23+/m0/s1
InChIKeyMBSZYALSUJVKMG-YTFSRNRJSA-N
XLogP4.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide (CID 54064102) is N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide is CCCCCCC=C[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide?
The InChIKey is MBSZYALSUJVKMG-YTFSRNRJSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-4-5-6-7-8-11-14-21-17-18-23(27)22(21)15-12-9-10-13-16-24(28)25-19-20-26(2)3/h11,14,21-23,27H,4-10,12-13,15-20H2,1-3H3,(H,25,28)/t21-,22+,23+/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide?
N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide has a molecular weight of 394.64 g/mol, XLogP of 4.92, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-[(1R,2R,5R)-2-hydroxy-5-oct-1-enylcyclopentyl]heptanamide is sourced from PubChem (CID 54064102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).