N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide

C23H30N2O4 — CID 90256251

IUPACN-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide
SMILESCN1CC[C@]23CC(=O)[C@@H](CC(=O)NCC4CC4)C[C@@]2(O)[C@H]1Cc1ccc(O)cc13
InChIInChI=1S/C23H30N2O4/c1-25-7-6-22-12-19(27)16(9-21(28)24-13-14-2-3-14)11-23(22,29)20(25)8-15-4-5-17(26)10-18(15)22/h4-5,10,14,16,20,26,29H,2-3,6-9,11-13H2,1H3,(H,24,28)/t16-,20+,22+,23+/m0/s1
InChIKeyCXDYPBCYDMYTSX-DQOBCGMHSA-N
MW398.50 g/mol
LogP1.52
Rot. Bonds4

About N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide

N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide (PubChem CID 90256251) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide
PubChem CID90256251
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide
SMILESCN1CC[C@]23CC(=O)[C@@H](CC(=O)NCC4CC4)C[C@@]2(O)[C@H]1Cc1ccc(O)cc13
InChIInChI=1S/C23H30N2O4/c1-25-7-6-22-12-19(27)16(9-21(28)24-13-14-2-3-14)11-23(22,29)20(25)8-15-4-5-17(26)10-18(15)22/h4-5,10,14,16,20,26,29H,2-3,6-9,11-13H2,1H3,(H,24,28)/t16-,20+,22+,23+/m0/s1
InChIKeyCXDYPBCYDMYTSX-DQOBCGMHSA-N
XLogP1.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide (CID 90256251) is N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide is CN1CC[C@]23CC(=O)[C@@H](CC(=O)NCC4CC4)C[C@@]2(O)[C@H]1Cc1ccc(O)cc13.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide?
The InChIKey is CXDYPBCYDMYTSX-DQOBCGMHSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-25-7-6-22-12-19(27)16(9-21(28)24-13-14-2-3-14)11-23(22,29)20(25)8-15-4-5-17(26)10-18(15)22/h4-5,10,14,16,20,26,29H,2-3,6-9,11-13H2,1H3,(H,24,28)/t16-,20+,22+,23+/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide?
N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(1R,9R,10S,12R)-4,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetamide is sourced from PubChem (CID 90256251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).