N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen

C24H32N2O4 — CID 143860799

IUPACN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccccc1Cc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C20H21NO3.C4H7NO.2H2/c22-20(21-17-13-24-18-10-11-23-19(17)18)16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;5-4(6)3-1-2-3;;/h1-9,17-19H,10-13H2,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1
InChIKeyQTUIADDAHLASHN-USZTXGDLSA-N
MW412.53 g/mol
LogP2.94
Rot. Bonds5

About N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen (PubChem CID 143860799) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
PubChem CID143860799
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen
SMILESNC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccccc1Cc1ccccc1.[H][H].[H][H]
InChIInChI=1S/C20H21NO3.C4H7NO.2H2/c22-20(21-17-13-24-18-10-11-23-19(17)18)16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;5-4(6)3-1-2-3;;/h1-9,17-19H,10-13H2,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1
InChIKeyQTUIADDAHLASHN-USZTXGDLSA-N
XLogP2.94
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-phenoxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860821
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methoxyphenoxy)benzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860750
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide;cyclopropanecarboxamide;molecular hydrogen
CID 143860762
N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-(thiophen-2-ylmethyl)benzamide
CID 70968844
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 91781332
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 154817388
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114120833
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CID 32542896
(3S)-N'-(2-benzylbenzoyl)-1,1-dioxothiolane-3-carbohydrazide
CID 41282814
2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid
CID 26763421

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen?
The IUPAC name of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen (CID 143860799) is N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen.
What is the SMILES notation for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen?
The canonical SMILES for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen is NC(=O)C1CC1.O=C(N[C@H]1CO[C@@H]2CCO[C@H]12)c1ccccc1Cc1ccccc1.[H][H].[H][H].
What is the InChIKey of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen?
The InChIKey is QTUIADDAHLASHN-USZTXGDLSA-N. The full InChI is InChI=1S/C20H21NO3.C4H7NO.2H2/c22-20(21-17-13-24-18-10-11-23-19(17)18)16-9-5-4-8-15(16)12-14-6-2-1-3-7-14;5-4(6)3-1-2-3;;/h1-9,17-19H,10-13H2,(H,21,22);3H,1-2H2,(H2,5,6);2*1H/t17-,18+,19+;;;/m0.../s1.
What are the key properties of N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen?
N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen has a molecular weight of 412.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6S,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-benzylbenzamide;cyclopropanecarboxamide;molecular hydrogen is sourced from PubChem (CID 143860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).