N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide

C15H26N2O7 — CID 166369239

IUPACN-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide
SMILESCOCC(OC)C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)[C@@H](C)OC
InChIInChI=1S/C15H26N2O7/c1-8(21-3)14(18)16-9-5-23-13-10(6-24-12(9)13)17-15(19)11(22-4)7-20-2/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t8-,9+,10+,11?,12-,13-/m1/s1
InChIKeyBDVILTSJQUBGAW-IHNHPCFUSA-N
MW346.38 g/mol
LogP-1.55
Rot. Bonds8

About N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide

N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide (PubChem CID 166369239) has the molecular formula C15H26N2O7 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide
PubChem CID166369239
Molecular FormulaC15H26N2O7
Molecular Weight346.38 g/mol
Exact Mass346.17
IUPAC NameN-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide
SMILESCOCC(OC)C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)[C@@H](C)OC
InChIInChI=1S/C15H26N2O7/c1-8(21-3)14(18)16-9-5-23-13-10(6-24-12(9)13)17-15(19)11(22-4)7-20-2/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t8-,9+,10+,11?,12-,13-/m1/s1
InChIKeyBDVILTSJQUBGAW-IHNHPCFUSA-N
XLogP-1.55
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide (CID 166369239) is N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide is COCC(OC)C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)[C@@H](C)OC.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide?
The InChIKey is BDVILTSJQUBGAW-IHNHPCFUSA-N. The full InChI is InChI=1S/C15H26N2O7/c1-8(21-3)14(18)16-9-5-23-13-10(6-24-12(9)13)17-15(19)11(22-4)7-20-2/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t8-,9+,10+,11?,12-,13-/m1/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide?
N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide has a molecular weight of 346.38 g/mol, XLogP of -1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-[[(2R)-2-methoxypropanoyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2,3-dimethoxypropanamide is sourced from PubChem (CID 166369239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).