2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide

C34H37N5O7 — CID 143887902

About 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide

2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide (PubChem CID 143887902) has the molecular formula C34H37N5O7 and a molecular weight of 627.70 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide.

Molecular Properties

• Compound Name: 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide
• PubChem CID: 143887902
• Molecular Formula: C34H37N5O7
• Molecular Weight: 627.70 g/mol
• Exact Mass: 627.27
• IUPAC Name: 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide
• SMILES: CCC(O)(CC)C(=O)NC1Cc2ccc3c(c2)C2(c4ccccc4NC2O3)c2oc(nc2-c2nc(CO)co2)[C@H](C(C)C)NC1=O
• InChI: InChI=1S/C34H37N5O7/c1-5-33(43,6-2)31(42)36-23-14-18-11-12-24-21(13-18)34(20-9-7-8-10-22(20)37-32(34)45-24)27-26(29-35-19(15-40)16-44-29)39-30(46-27)25(17(3)4)38-28(23)41/h7-13,16-17,23,25,32,37,40,43H,5-6,14-15H2,1-4H3,(H,36,42)(H,38,41)/t23?,25-,32?,34?/m0/s1
• InChIKey: IVFPHUQFBABZGK-NFAILZOJSA-N
• XLogP: 3.71
• TPSA: 171.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.70
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide?

The IUPAC name of 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide (CID 143887902) is 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide.

What is the SMILES notation for 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide?

The canonical SMILES for 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide is CCC(O)(CC)C(=O)NC1Cc2ccc3c(c2)C2(c4ccccc4NC2O3)c2oc(nc2-c2nc(CO)co2)[C@H](C(C)C)NC1=O.

What is the InChIKey of 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide?

The InChIKey is IVFPHUQFBABZGK-NFAILZOJSA-N. The full InChI is InChI=1S/C34H37N5O7/c1-5-33(43,6-2)31(42)36-23-14-18-11-12-24-21(13-18)34(20-9-7-8-10-22(20)37-32(34)45-24)27-26(29-35-19(15-40)16-44-29)39-30(46-27)25(17(3)4)38-28(23)41/h7-13,16-17,23,25,32,37,40,43H,5-6,14-15H2,1-4H3,(H,36,42)(H,38,41)/t23?,25-,32?,34?/m0/s1.

What are the key properties of 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide?

2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide has a molecular weight of 627.70 g/mol, XLogP of 3.71, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-hydroxy-N-[(19S)-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-19-propan-2-yl-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]butanamide is sourced from PubChem (CID 143887902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).