N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane

C18H39FN2O5 — CID 167622244

IUPACN-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane
SMILESCC.CC.CCC(F)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1OC
InChIInChI=1S/C14H27FN2O5.2C2H6/c1-5-7(15)10(18)14(19)17-9-6-8(16)11(20-2)13(22-4)12(9)21-3;2*1-2/h7-13,18H,5-6,16H2,1-4H3,(H,17,19);2*1-2H3/t7?,8-,9+,10?,11+,12?,13-;;/m0../s1
InChIKeyMPKWKWGCIYYXDK-PNIMASRCSA-N
MW382.52 g/mol
LogP1.41
Rot. Bonds7

About N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane

N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane (PubChem CID 167622244) has the molecular formula C18H39FN2O5 and a molecular weight of 382.52 g/mol. Its IUPAC name is N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane.

Molecular Properties

Compound NameN-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane
PubChem CID167622244
Molecular FormulaC18H39FN2O5
Molecular Weight382.52 g/mol
Exact Mass382.28
IUPAC NameN-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane
SMILESCC.CC.CCC(F)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1OC
InChIInChI=1S/C14H27FN2O5.2C2H6/c1-5-7(15)10(18)14(19)17-9-6-8(16)11(20-2)13(22-4)12(9)21-3;2*1-2/h7-13,18H,5-6,16H2,1-4H3,(H,17,19);2*1-2H3/t7?,8-,9+,10?,11+,12?,13-;;/m0../s1
InChIKeyMPKWKWGCIYYXDK-PNIMASRCSA-N
XLogP1.41
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxypentanamide;ethane
CID 167655560
4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-2-hydroxy-3,4-dimethoxycyclohexyl]-2,3-dihydroxybutanamide
CID 164843996
4-amino-N-(3-amino-5-methylcyclohexyl)-3-fluoro-2-hydroxybutanamide
CID 143974335
2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
CID 62397142
3-amino-N-(2-ethylcyclopropyl)-2-methoxypropanamide
CID 106114319
ethane;(1S,2R,3R,5R)-2,3,4-trimethoxy-5-methylcyclohexan-1-amine
CID 167697427
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-[5-amino-4-[3-amino-6-[[(3-aminocyclobutyl)methylamino]methyl]oxan-2-yl]oxy-2-hydroxy-3-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexyl]-3-fluoro-2-hydroxyhexanamide
CID 90963082
N-(3-aminocyclopentyl)-2-ethylbutanamide
CID 115267780
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
CID 103812752
N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
CID 136575935
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane?
The IUPAC name of N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane (CID 167622244) is N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane.
What is the SMILES notation for N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane?
The canonical SMILES for N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane is CC.CC.CCC(F)C(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](OC)[C@H](OC)C1OC.
What is the InChIKey of N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane?
The InChIKey is MPKWKWGCIYYXDK-PNIMASRCSA-N. The full InChI is InChI=1S/C14H27FN2O5.2C2H6/c1-5-7(15)10(18)14(19)17-9-6-8(16)11(20-2)13(22-4)12(9)21-3;2*1-2/h7-13,18H,5-6,16H2,1-4H3,(H,17,19);2*1-2H3/t7?,8-,9+,10?,11+,12?,13-;;/m0../s1.
What are the key properties of N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane?
N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane has a molecular weight of 382.52 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S,4R,5S)-5-amino-2,3,4-trimethoxycyclohexyl]-3-fluoro-2-hydroxypentanamide;ethane is sourced from PubChem (CID 167622244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).