2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

C19H27ClN2O4 — CID 162793220

IUPAC2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNCc3ccccc3Cl)C(O)C2O1
InChIInChI=1S/C19H27ClN2O4/c1-11(2)22-17(23)8-13-7-15-19(25-13)18(24)16(26-15)10-21-9-12-5-3-4-6-14(12)20/h3-6,11,13,15-16,18-19,21,24H,7-10H2,1-2H3,(H,22,23)
InChIKeyOQCRUCZANAQQKC-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.63
Rot. Bonds7

About 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide

2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (PubChem CID 162793220) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
PubChem CID162793220
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CC2OC(CNCc3ccccc3Cl)C(O)C2O1
InChIInChI=1S/C19H27ClN2O4/c1-11(2)22-17(23)8-13-7-15-19(25-13)18(24)16(26-15)10-21-9-12-5-3-4-6-14(12)20/h3-6,11,13,15-16,18-19,21,24H,7-10H2,1-2H3,(H,22,23)
InChIKeyOQCRUCZANAQQKC-UHFFFAOYSA-N
XLogP1.63
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[6-hydroxy-5-[(oxan-4-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide
CID 162792886
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
(2S,4R)-4-[(2-chlorophenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 45236019
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
1-[(2R,3R,4S,5R)-5-[[(2-chlorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 53325965
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
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3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
CID 109020077
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide (CID 162793220) is 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CC2OC(CNCc3ccccc3Cl)C(O)C2O1.
What is the InChIKey of 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
The InChIKey is OQCRUCZANAQQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-11(2)22-17(23)8-13-7-15-19(25-13)18(24)16(26-15)10-21-9-12-5-3-4-6-14(12)20/h3-6,11,13,15-16,18-19,21,24H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide?
2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide has a molecular weight of 382.89 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-chlorophenyl)methylamino]methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 162793220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).