cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide

C25H32N2O4 — CID 11891811

IUPACcis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H32N2O4/c1-2-12-26(25(29)23-15-22(23)19-8-4-3-5-9-19)18-24(28)27(16-20-10-6-13-30-20)17-21-11-7-14-31-21/h3-6,8-10,13,21-23H,2,7,11-12,14-18H2,1H3/t21-,22-,23-/m0/s1
InChIKeyIFJQFGCHUYSIOD-VABKMULXSA-N
MW424.54 g/mol
LogP3.83
Rot. Bonds10

About cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide (PubChem CID 11891811) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
PubChem CID11891811
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Namecis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C25H32N2O4/c1-2-12-26(25(29)23-15-22(23)19-8-4-3-5-9-19)18-24(28)27(16-20-10-6-13-30-20)17-21-11-7-14-31-21/h3-6,8-10,13,21-23H,2,7,11-12,14-18H2,1H3/t21-,22-,23-/m0/s1
InChIKeyIFJQFGCHUYSIOD-VABKMULXSA-N
XLogP3.83
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 11892916
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 3423494
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide (CID 11891811) is cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide is CCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide?
The InChIKey is IFJQFGCHUYSIOD-VABKMULXSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-2-12-26(25(29)23-15-22(23)19-8-4-3-5-9-19)18-24(28)27(16-20-10-6-13-30-20)17-21-11-7-14-31-21/h3-6,8-10,13,21-23H,2,7,11-12,14-18H2,1H3/t21-,22-,23-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 11891811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).