2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H23ClN2O4 — CID 93110158

IUPAC2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)CCl
InChIInChI=1S/C17H23ClN2O4/c1-2-7-19(16(21)10-18)13-17(22)20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h2-3,5,8,15H,1,4,6-7,9-13H2/t15-/m0/s1
InChIKeyQJFBAMZSMALZID-HNNXBMFYSA-N
MW354.83 g/mol
LogP2.04
Rot. Bonds9

About 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 93110158) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID93110158
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)CCl
InChIInChI=1S/C17H23ClN2O4/c1-2-7-19(16(21)10-18)13-17(22)20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h2-3,5,8,15H,1,4,6-7,9-13H2/t15-/m0/s1
InChIKeyQJFBAMZSMALZID-HNNXBMFYSA-N
XLogP2.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
CID 3943750
trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 11892916
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide
CID 93110167
(2S)-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 7225373
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 93110158) is 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is QJFBAMZSMALZID-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-2-7-19(16(21)10-18)13-17(22)20(11-14-5-3-8-23-14)12-15-6-4-9-24-15/h2-3,5,8,15H,1,4,6-7,9-13H2/t15-/m0/s1.
What are the key properties of 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 354.83 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93110158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).