3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide

C22H30N2O5 — CID 123980670

IUPAC3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
SMILESO=C(NC1COC2C(NC(O)C3CC3)COC12)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H30N2O5/c25-21(13-8-9-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)14-4-3-7-16(10-14)29-15-5-1-2-6-15/h3-4,7,10,13,15,17-21,23,25H,1-2,5-6,8-9,11-12H2,(H,24,26)
InChIKeyWYLPXOPFDBXPKD-UHFFFAOYSA-N
MW402.49 g/mol
LogP1.59
Rot. Bonds7

About 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide

3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide (PubChem CID 123980670) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
PubChem CID123980670
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide
SMILESO=C(NC1COC2C(NC(O)C3CC3)COC12)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H30N2O5/c25-21(13-8-9-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)14-4-3-7-16(10-14)29-15-5-1-2-6-15/h3-4,7,10,13,15,17-21,23,25H,1-2,5-6,8-9,11-12H2,(H,24,26)
InChIKeyWYLPXOPFDBXPKD-UHFFFAOYSA-N
XLogP1.59
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
3-cyclopentyloxybenzamide
CID 71932153
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
CID 155972251
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
3-cyclohexyloxy-N-(2-fluoro-3-hydroxyphenyl)benzamide
CID 119042987
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The IUPAC name of 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide (CID 123980670) is 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide is O=C(NC1COC2C(NC(O)C3CC3)COC12)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
The InChIKey is WYLPXOPFDBXPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c25-21(13-8-9-13)23-17-11-27-20-18(12-28-19(17)20)24-22(26)14-4-3-7-16(10-14)29-15-5-1-2-6-15/h3-4,7,10,13,15,17-21,23,25H,1-2,5-6,8-9,11-12H2,(H,24,26).
What are the key properties of 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide?
3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[3-[[cyclopropyl(hydroxy)methyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]benzamide is sourced from PubChem (CID 123980670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).