N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C16H30N2O2 — CID 90324188

IUPACN-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC)C1
InChIInChI=1S/C16H30N2O2/c1-6-12-9-14(17-5)16(18-11(4)19)15(10-12)20-13(7-2)8-3/h10,13-17H,6-9H2,1-5H3,(H,18,19)/t14-,15+,16+/m0/s1
InChIKeyFMJWTLXGTZBOQH-ARFHVFGLSA-N
MW282.43 g/mol
LogP2.39
Rot. Bonds7

About N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 90324188) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID90324188
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC)C1
InChIInChI=1S/C16H30N2O2/c1-6-12-9-14(17-5)16(18-11(4)19)15(10-12)20-13(7-2)8-3/h10,13-17H,6-9H2,1-5H3,(H,18,19)/t14-,15+,16+/m0/s1
InChIKeyFMJWTLXGTZBOQH-ARFHVFGLSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 90324188) is N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC)C1.
What is the InChIKey of N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is FMJWTLXGTZBOQH-ARFHVFGLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-12-9-14(17-5)16(18-11(4)19)15(10-12)20-13(7-2)8-3/h10,13-17H,6-9H2,1-5H3,(H,18,19)/t14-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-4-ethyl-6-(methylamino)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 90324188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).