2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide

C9H14Cl3NO3 — CID 11953349

IUPAC2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide
SMILESC=C[C@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)OCOC
InChIInChI=1S/C9H14Cl3NO3/c1-4-7(6(2)16-5-15-3)13-8(14)9(10,11)12/h4,6-7H,1,5H2,2-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKeyVLBJKOJDBLNTMM-BQBZGAKWSA-N
MW290.57 g/mol
LogP2.04
Rot. Bonds6

About 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide

2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide (PubChem CID 11953349) has the molecular formula C9H14Cl3NO3 and a molecular weight of 290.57 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide
PubChem CID11953349
Molecular FormulaC9H14Cl3NO3
Molecular Weight290.57 g/mol
Exact Mass289.00
IUPAC Name2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide
SMILESC=C[C@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)OCOC
InChIInChI=1S/C9H14Cl3NO3/c1-4-7(6(2)16-5-15-3)13-8(14)9(10,11)12/h4,6-7H,1,5H2,2-3H3,(H,13,14)/t6-,7-/m0/s1
InChIKeyVLBJKOJDBLNTMM-BQBZGAKWSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.57
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide 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-[(3R,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]-2,2,2-trichloroacetamide
CID 11318238
2,2,2-trichloro-N-[(3R)-hex-1-en-3-yl]acetamide
CID 13225937
(2S,3R)-3-(methoxymethoxy)-2-methylpent-4-enoic acid
CID 102458905
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
CID 10559215
(3R)-3-(methoxymethoxy)pent-4-en-2-one
CID 102143717
N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide
CID 146556893
tert-butyl N-[(2S,3R)-1-phenyl-3-[(2,2,2-trichloroacetyl)amino]pent-4-en-2-yl]carbamate
CID 14931010
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
dimethoxymethane;methyl prop-2-enoate
CID 162245850
N-[3-(methoxymethoxy)butan-2-yl]formamide
CID 126762871
tert-butyl N-[(2S)-1-hydroxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
CID 101373624
(E)-6-(methoxymethoxy)-2,2-dimethylhept-4-en-3-one
CID 100934483

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide (CID 11953349) is 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide is C=C[C@H](NC(=O)C(Cl)(Cl)Cl)[C@H](C)OCOC.
What is the InChIKey of 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide?
The InChIKey is VLBJKOJDBLNTMM-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14Cl3NO3/c1-4-7(6(2)16-5-15-3)13-8(14)9(10,11)12/h4,6-7H,1,5H2,2-3H3,(H,13,14)/t6-,7-/m0/s1.
What are the key properties of 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide?
2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide has a molecular weight of 290.57 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide is sourced from PubChem (CID 11953349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).