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

C25H30N2O4 — CID 11892916

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

trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 11892916) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
• PubChem CID: 11892916
• Molecular Formula: C25H30N2O4
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.22
• IUPAC Name: trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
• SMILES: C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccccc1
• InChI: InChI=1S/C25H30N2O4/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/h2-6,8-10,13,21-23H,1,7,11-12,14-18H2/t21-,22-,23+/m0/s1
• InChIKey: HXWUDYKYDNMXPW-RJGXRXQPSA-N
• XLogP: 3.61
• TPSA: 62.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide?

The IUPAC name of 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) is trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide is C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccccc1.

What is the InChIKey of trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide?

The InChIKey is HXWUDYKYDNMXPW-RJGXRXQPSA-N. The full InChI is InChI=1S/C25H30N2O4/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/h2-6,8-10,13,21-23H,1,7,11-12,14-18H2/t21-,22-,23+/m0/s1.

What are the key properties of trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 11892916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).