N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C34H35FN4O7 — CID 164693484

About N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 164693484) has the molecular formula C34H35FN4O7 and a molecular weight of 630.67 g/mol. Its IUPAC name is N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
• PubChem CID: 164693484
• Molecular Formula: C34H35FN4O7
• Molecular Weight: 630.67 g/mol
• Exact Mass: 630.25
• IUPAC Name: N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
• SMILES: COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]1NC2=O
• InChI: InChI=1S/C34H35FN4O7/c1-44-29-9-6-23-15-30(29)45-19-31(40)36-17-21-12-24(35)16-26(13-21)46-28-10-11-39(18-27(28)38-34(23)43)32(41)14-20-2-7-25(8-3-20)37-33(42)22-4-5-22/h2-3,6-9,12-13,15-16,22,27-28H,4-5,10-11,14,17-19H2,1H3,(H,36,40)(H,37,42)(H,38,43)/t27-,28+/m0/s1
• InChIKey: VNUYPBADCGIEDZ-WUFINQPMSA-N
• XLogP: 3.21
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.67
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 164693484) is N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide is COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]1NC2=O.

What is the InChIKey of N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?

The InChIKey is VNUYPBADCGIEDZ-WUFINQPMSA-N. The full InChI is InChI=1S/C34H35FN4O7/c1-44-29-9-6-23-15-30(29)45-19-31(40)36-17-21-12-24(35)16-26(13-21)46-28-10-11-39(18-27(28)38-34(23)43)32(41)14-20-2-7-25(8-3-20)37-33(42)22-4-5-22/h2-3,6-9,12-13,15-16,22,27-28H,4-5,10-11,14,17-19H2,1H3,(H,36,40)(H,37,42)(H,38,43)/t27-,28+/m0/s1.

What are the key properties of N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide?

N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 630.67 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(3R,8S)-23-fluoro-14-methoxy-10,18-dioxo-2,16-dioxa-6,9,19-triazatetracyclo[19.3.1.111,15.03,8]hexacosa-1(24),11(26),12,14,21(25),22-hexaen-6-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 164693484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).