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

C15H28N2O2 — CID 70791584

IUPACN-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
InChIInChI=1S/C15H28N2O2/c1-5-11-8-13(16)15(17-10(4)18)14(9-11)19-12(6-2)7-3/h9,12-15H,5-8,16H2,1-4H3,(H,17,18)/t13-,14+,15+/m0/s1
InChIKeyKYCKHAGLTXDTPR-RRFJBIMHSA-N
MW268.40 g/mol
LogP2.13
Rot. Bonds6

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

N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 70791584) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID70791584
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
InChIInChI=1S/C15H28N2O2/c1-5-11-8-13(16)15(17-10(4)18)14(9-11)19-12(6-2)7-3/h9,12-15H,5-8,16H2,1-4H3,(H,17,18)/t13-,14+,15+/m0/s1
InChIKeyKYCKHAGLTXDTPR-RRFJBIMHSA-N
XLogP2.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.13
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)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 70791584) is N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.
What is the InChIKey of N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is KYCKHAGLTXDTPR-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-11-8-13(16)15(17-10(4)18)14(9-11)19-12(6-2)7-3/h9,12-15H,5-8,16H2,1-4H3,(H,17,18)/t13-,14+,15+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 268.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-6-amino-4-ethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 70791584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).