1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol

C24H31NO4 — CID 24534341

About 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol

1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol (PubChem CID 24534341) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
• PubChem CID: 24534341
• Molecular Formula: C24H31NO4
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.23
• IUPAC Name: 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
• SMILES: C/C=C/c1ccc(OCC(O)CN(Cc2ccc(OC)cc2)C2CC2)c(OC)c1
• InChI: InChI=1S/C24H31NO4/c1-4-5-18-8-13-23(24(14-18)28-3)29-17-21(26)16-25(20-9-10-20)15-19-6-11-22(27-2)12-7-19/h4-8,11-14,20-21,26H,9-10,15-17H2,1-3H3/b5-4+
• InChIKey: CIANIELQCPCANW-SNAWJCMRSA-N
• XLogP: 4.14
• TPSA: 51.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol (CID 24534341) is 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol is C/C=C/c1ccc(OCC(O)CN(Cc2ccc(OC)cc2)C2CC2)c(OC)c1.

What is the InChIKey of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol?

The InChIKey is CIANIELQCPCANW-SNAWJCMRSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-5-18-8-13-23(24(14-18)28-3)29-17-21(26)16-25(20-9-10-20)15-19-6-11-22(27-2)12-7-19/h4-8,11-14,20-21,26H,9-10,15-17H2,1-3H3/b5-4+.

What are the key properties of 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol?

1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol has a molecular weight of 397.52 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol is sourced from PubChem (CID 24534341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).