N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)

C40H58ClFN4O7 — CID 177356833

About N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)

N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane) (PubChem CID 177356833) has the molecular formula C40H58ClFN4O7 and a molecular weight of 761.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane).

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)
• PubChem CID: 177356833
• Molecular Formula: C40H58ClFN4O7
• Molecular Weight: 761.38 g/mol
• Exact Mass: 760.40
• IUPAC Name: N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)
• SMILES: CC.CCC(=O)N(CCO)CC(N)=O.CCCCC.CCCCC.O=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(Cl)c4c3c2CCC4)C1O
• InChI: InChI=1S/C21H14ClFN2O4.C7H14N2O3.2C5H12.C2H6/c22-17-9-3-1-2-8-11-6-25-15(18(11)24-14(16(8)9)5-13(17)23)4-10-12(20(25)27)7-29-21(28)19(10)26;1-2-7(12)9(3-4-10)5-6(8)11;2*1-3-5-4-2;1-2/h4-5,19,26H,1-3,6-7H2;10H,2-5H2,1H3,(H2,8,11);2*3-5H2,1-2H3;1-2H3
• InChIKey: ZHFRAHJDCZMXKZ-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 165.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.38
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)?

The IUPAC name of N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane) (CID 177356833) is N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane).

What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)?

The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane) is CC.CCC(=O)N(CCO)CC(N)=O.CCCCC.CCCCC.O=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc(F)c(Cl)c4c3c2CCC4)C1O.

What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)?

The InChIKey is ZHFRAHJDCZMXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O4.C7H14N2O3.2C5H12.C2H6/c22-17-9-3-1-2-8-11-6-25-15(18(11)24-14(16(8)9)5-13(17)23)4-10-12(20(25)27)7-29-21(28)19(10)26;1-2-7(12)9(3-4-10)5-6(8)11;2*1-3-5-4-2;1-2/h4-5,19,26H,1-3,6-7H2;10H,2-5H2,1H3,(H2,8,11);2*3-5H2,1-2H3;1-2H3.

What are the key properties of N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane)?

N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane) has a molecular weight of 761.38 g/mol, XLogP of 6.92, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)propanamide;19-chloro-18-fluoro-10-hydroxy-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;ethane;bis(pentane) is sourced from PubChem (CID 177356833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).