N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

C26H36N4O5 — CID 122165397

IUPACN-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2
InChIInChI=1S/C26H36N4O5/c1-17(31)28-21-10-9-19-11-14-34-23-8-3-2-7-20(23)26(33)30-13-12-29(18-5-4-6-18)16-22(30)25(32)27-15-24(21)35-19/h2-3,7-8,18-19,21-22,24H,4-6,9-16H2,1H3,(H,27,32)(H,28,31)/t19-,21+,22-,24+/m0/s1
InChIKeyRDWKHKSPGYLIBZ-AYEXWZOKSA-N
MW484.60 g/mol
LogP1.32
Rot. Bonds2

About N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide

N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide (PubChem CID 122165397) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
PubChem CID122165397
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC NameN-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2
InChIInChI=1S/C26H36N4O5/c1-17(31)28-21-10-9-19-11-14-34-23-8-3-2-7-20(23)26(33)30-13-12-29(18-5-4-6-18)16-22(30)25(32)27-15-24(21)35-19/h2-3,7-8,18-19,21-22,24H,4-6,9-16H2,1H3,(H,27,32)(H,28,31)/t19-,21+,22-,24+/m0/s1
InChIKeyRDWKHKSPGYLIBZ-AYEXWZOKSA-N
XLogP1.32
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide with MolForge

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Related Compounds

N-[(1R,5S,21S,24R)-7-cyclohexyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]oxane-4-carboxamide
CID 122165277
N-[(1R,5S,21S,24R)-4,11-dioxo-7-(pyridin-4-ylmethyl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
CID 125415997
(1R,5S,21S,24S)-24-hydroxy-7-(oxan-4-yl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
CID 122165061
N-[(1R,5S,21S,24R)-7-[(3-methoxyphenyl)methyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
CID 122165415
2-methoxy-N-[(1R,5S,21S,24R)-7-methyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide
CID 122165223
N-[(1R,5S,21S,24R)-7-(3,3-dimethylbutyl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3,3-dimethylbutanamide
CID 122165254
N-[(1R,5S,21S,24R)-7-benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3,3-dimethylbutanamide
CID 122165259
(1R,5S,21S,24R)-7-cyclobutyl-24-[4-(methoxymethyl)triazol-1-yl]-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
CID 122165153
N-[(1R,5S,21S,24R)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]oxane-4-carboxamide
CID 122165273
N-[(1R,5S,21S,24R)-4,11-dioxo-7-(thiophen-3-ylmethyl)-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]oxane-4-carboxamide
CID 122165288
N-[(1R,5S,21S,24R)-7-(1,3-benzodioxol-5-ylmethyl)-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-2-methoxyacetamide
CID 122165241
N-[(1R,5S,21S,24R)-7-[(3-methoxyphenyl)methyl]-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3,3-dimethylbutanamide
CID 122165261

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?
The IUPAC name of N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide (CID 122165397) is N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide.
What is the SMILES notation for N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?
The canonical SMILES for N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide is CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@H]3C(=O)NC[C@H]1O2.
What is the InChIKey of N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?
The InChIKey is RDWKHKSPGYLIBZ-AYEXWZOKSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-17(31)28-21-10-9-19-11-14-34-23-8-3-2-7-20(23)26(33)30-13-12-29(18-5-4-6-18)16-22(30)25(32)27-15-24(21)35-19/h2-3,7-8,18-19,21-22,24H,4-6,9-16H2,1H3,(H,27,32)(H,28,31)/t19-,21+,22-,24+/m0/s1.
What are the key properties of N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide?
N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,21S,24R)-7-cyclobutyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]acetamide is sourced from PubChem (CID 122165397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).