N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

C14H24BrNO3 — CID 163966046

IUPACN-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(Br)C[C@@H](OC)C1NC(C)=O
InChIInChI=1S/C14H24BrNO3/c1-5-11(6-2)19-13-8-10(15)7-12(18-4)14(13)16-9(3)17/h8,11-14H,5-7H2,1-4H3,(H,16,17)/t12-,13-,14?/m1/s1
InChIKeySLWFOSPPGJTDHQ-ZFXTZCCVSA-N
MW334.25 g/mol
LogP2.76
Rot. Bonds6

About N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide

N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 163966046) has the molecular formula C14H24BrNO3 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID163966046
Molecular FormulaC14H24BrNO3
Molecular Weight334.25 g/mol
Exact Mass333.09
IUPAC NameN-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(Br)C[C@@H](OC)C1NC(C)=O
InChIInChI=1S/C14H24BrNO3/c1-5-11(6-2)19-13-8-10(15)7-12(18-4)14(13)16-9(3)17/h8,11-14H,5-7H2,1-4H3,(H,16,17)/t12-,13-,14?/m1/s1
InChIKeySLWFOSPPGJTDHQ-ZFXTZCCVSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,5S,6S)-4-bromo-2-(1-ethylpropoxy)-5,6-dihydroxycyclohex-3-en-1-yl]acetamide
CID 25019473
N-[(1R,2R,6R)-4-bromo-6-hydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 25019474
(1S,2R,5R,6S)-6-acetamido-2,3-dibromo-5-(1-ethyl-propoxy)-cyclohex-3-en-1-yl acetate
CID 66921872
N-[(3aS,4S,5R,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide
CID 44516202
N-[(3aS,4S,5S,7aS)-7-bromo-2,2-dimethyl-5-pentan-3-yloxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]acetamide
CID 44516203
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
CID 59076544
[(1S,5R,6R)-6-acetamido-3-bromo-5-pentan-3-yloxycyclohex-3-en-1-yl] carbamate
CID 66921837
(6-Acetamido-3-bromo-5-pentan-3-yloxycyclohex-3-en-1-yl) carbamate
CID 66921838
N-[(1R,2S,5S,6S)-4-bromo-5,6-dihydroxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 66921862
N-[(1R,6R)-4-bromo-6-pentan-3-yloxycyclohexa-2,4-dien-1-yl]acetamide
CID 66921867
N-[(1R,6S)-4-bromo-6-pentan-3-yloxycyclohexa-2,4-dien-1-yl]acetamide
CID 66921868
[(1S,2R,5R,6R)-6-acetamido-2,3-dibromo-5-pentan-3-yloxycyclohex-3-en-1-yl] acetate
CID 66921874

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 163966046) is N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=C(Br)C[C@@H](OC)C1NC(C)=O.
What is the InChIKey of N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is SLWFOSPPGJTDHQ-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H24BrNO3/c1-5-11(6-2)19-13-8-10(15)7-12(18-4)14(13)16-9(3)17/h8,11-14H,5-7H2,1-4H3,(H,16,17)/t12-,13-,14?/m1/s1.
What are the key properties of N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 334.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6R)-4-bromo-6-methoxy-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 163966046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).