N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

C20H32N2O4 — CID 57330631

IUPACN-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESO=C(CCCC1CCCCC1)NC1COC2C(NC(=O)C3CC3)COC12
InChIInChI=1S/C20H32N2O4/c23-17(8-4-7-13-5-2-1-3-6-13)21-15-11-25-19-16(12-26-18(15)19)22-20(24)14-9-10-14/h13-16,18-19H,1-12H2,(H,21,23)(H,22,24)
InChIKeyMBMFDAHAJZBWIL-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.91
Rot. Bonds7

About N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide

N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (PubChem CID 57330631) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
PubChem CID57330631
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
SMILESO=C(CCCC1CCCCC1)NC1COC2C(NC(=O)C3CC3)COC12
InChIInChI=1S/C20H32N2O4/c23-17(8-4-7-13-5-2-1-3-6-13)21-15-11-25-19-16(12-26-18(15)19)22-20(24)14-9-10-14/h13-16,18-19H,1-12H2,(H,21,23)(H,22,24)
InChIKeyMBMFDAHAJZBWIL-UHFFFAOYSA-N
XLogP1.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide 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-cyclohexylbutanamide
CID 70802265
4-tert-butyl-N-[3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexane-1-carboxamide
CID 70968787
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
N-[(3S,3aR,6S,6aR)-3-[2-oxo-3-(4-pentylcyclohexyl)propyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide
CID 162082235
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide
CID 119612594
N-[2-(aminomethyl)cyclohexyl]-4-cyclopentylbutanamide;hydrochloride
CID 119612593
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
N-[6-(2-amino-2-oxoethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]cyclopropanecarboxamide
CID 73132926
N-[4-[[(1R,2R)-2-cyclohexylcyclopropyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 97080297
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide (CID 57330631) is N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is O=C(CCCC1CCCCC1)NC1COC2C(NC(=O)C3CC3)COC12.
What is the InChIKey of N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
The InChIKey is MBMFDAHAJZBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c23-17(8-4-7-13-5-2-1-3-6-13)21-15-11-25-19-16(12-26-18(15)19)22-20(24)14-9-10-14/h13-16,18-19H,1-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide?
N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclohexylbutanoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57330631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).