N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide

C14H22N2O6 — CID 102424537

IUPACN-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1/[C@@H]2OC(C)(C)O[C@@H]2CO[C@@]12COC(C)(C)O2
InChIInChI=1S/C14H22N2O6/c1-8(17)15-16-11-10-9(20-13(4,5)21-10)6-18-14(11)7-19-12(2,3)22-14/h9-10H,6-7H2,1-5H3,(H,15,17)/b16-11-/t9-,10-,14-/m1/s1
InChIKeyQSVGJDRKLPOTFG-PQFIPVRHSA-N
MW314.34 g/mol
LogP0.51
Rot. Bonds1

About N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide

N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide (PubChem CID 102424537) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide
PubChem CID102424537
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC NameN-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide
SMILESCC(=O)N/N=C1/[C@@H]2OC(C)(C)O[C@@H]2CO[C@@]12COC(C)(C)O2
InChIInChI=1S/C14H22N2O6/c1-8(17)15-16-11-10-9(20-13(4,5)21-10)6-18-14(11)7-19-12(2,3)22-14/h9-10H,6-7H2,1-5H3,(H,15,17)/b16-11-/t9-,10-,14-/m1/s1
InChIKeyQSVGJDRKLPOTFG-PQFIPVRHSA-N
XLogP0.51
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide with MolForge

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Related Compounds

CID 162264970
CID 162264970
2',2'-dimethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-one
CID 20617452
(3'aR,5S)-3-acetyl-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-2,7'-dione
CID 58766090
(5R,7S,8S)-7,8-dihydroxy-2,2-dimethyl-1,3,10-trioxaspiro[4.5]decan-6-one
CID 71197714
(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
CID 58766047
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
[(E)-[(3aR,5S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]amino]thiourea
CID 10958503
N-[(Z)-[(3aR,5S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]amino]-4-bromobenzamide
CID 44521349
(3'aR,5S,7'aR)-N,N,2',2'-tetramethyl-2,7'-dioxospiro[1,3-oxazolidine-5,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-3-carboxamide
CID 11056113
(5R,8S,9S)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-hydroxy-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-6-one
CID 101362830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide?
The IUPAC name of N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide (CID 102424537) is N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide.
What is the SMILES notation for N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide?
The canonical SMILES for N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide is CC(=O)N/N=C1/[C@@H]2OC(C)(C)O[C@@H]2CO[C@@]12COC(C)(C)O2.
What is the InChIKey of N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide?
The InChIKey is QSVGJDRKLPOTFG-PQFIPVRHSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-8(17)15-16-11-10-9(20-13(4,5)21-10)6-18-14(11)7-19-12(2,3)22-14/h9-10H,6-7H2,1-5H3,(H,15,17)/b16-11-/t9-,10-,14-/m1/s1.
What are the key properties of N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide?
N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide has a molecular weight of 314.34 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3'aR,4S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-ylidene]amino]acetamide is sourced from PubChem (CID 102424537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).