2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H30N2O4 — CID 143860761

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC1CC2OCCC2O1.NC(=O)C1CC1.NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H13NO.C6H10O2.C4H7NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h5-7H,1-4H2,(H2,12,13);5-6H,1-4H2;3H,1-2H2,(H2,5,6)
InChIKeyFTLFGZFSNOIOIP-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.11
Rot. Bonds2

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 143860761) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID143860761
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC1CC2OCCC2O1.NC(=O)C1CC1.NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C11H13NO.C6H10O2.C4H7NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h5-7H,1-4H2,(H2,12,13);5-6H,1-4H2;3H,1-2H2,(H2,5,6)
InChIKeyFTLFGZFSNOIOIP-UHFFFAOYSA-N
XLogP2.11
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholine-2-carboxamide
CID 94371347
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 143860761) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide is C1CC2OCCC2O1.NC(=O)C1CC1.NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FTLFGZFSNOIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C6H10O2.C4H7NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-3-7-6-2-4-8-5(1)6;5-4(6)3-1-2-3/h5-7H,1-4H2,(H2,12,13);5-6H,1-4H2;3H,1-2H2,(H2,5,6).
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;cyclopropanecarboxamide;5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 143860761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).