N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide

C24H34N4O2 — CID 38030234

IUPACN-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C
InChIInChI=1S/C24H34N4O2/c1-16(2)22-13-20(17(3)12-21(22)15-25-10-11-26-18(4)29)14-23-27-28-24(30-23)19-8-6-5-7-9-19/h5-9,12,16,20-22,25H,10-11,13-15H2,1-4H3,(H,26,29)/t20-,21-,22-/m0/s1
InChIKeyVULZJRYMIAYXAB-FKBYEOEOSA-N
MW410.56 g/mol
LogP3.86
Rot. Bonds9

About N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide

N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide (PubChem CID 38030234) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide
PubChem CID38030234
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C
InChIInChI=1S/C24H34N4O2/c1-16(2)22-13-20(17(3)12-21(22)15-25-10-11-26-18(4)29)14-23-27-28-24(30-23)19-8-6-5-7-9-19/h5-9,12,16,20-22,25H,10-11,13-15H2,1-4H3,(H,26,29)/t20-,21-,22-/m0/s1
InChIKeyVULZJRYMIAYXAB-FKBYEOEOSA-N
XLogP3.86
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide (CID 38030234) is N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide is CC(=O)NCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@H]1C(C)C.
What is the InChIKey of N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide?
The InChIKey is VULZJRYMIAYXAB-FKBYEOEOSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-16(2)22-13-20(17(3)12-21(22)15-25-10-11-26-18(4)29)14-23-27-28-24(30-23)19-8-6-5-7-9-19/h5-9,12,16,20-22,25H,10-11,13-15H2,1-4H3,(H,26,29)/t20-,21-,22-/m0/s1.
What are the key properties of N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide?
N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S,4S,6S)-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide is sourced from PubChem (CID 38030234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).