(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide

C38H59N3O3 — CID 127033348

IUPAC(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide
SMILESCC1(C)CC[C@]2(C(=O)NCCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C38H59N3O3/c1-33(2)13-15-38(32(42)39-17-8-18-41-19-21-43-22-20-41)16-14-36(6)27(28(38)24-33)9-10-30-35(5)23-26-25-40-44-31(26)34(3,4)29(35)11-12-37(30,36)7/h9,25,28-30H,8,10-24H2,1-7H3,(H,39,42)/t28-,29-,30+,35-,36+,37+,38-/m0/s1
InChIKeyPWEWOIQZTIVNJQ-RXLVGJJOSA-N
MW605.91 g/mol
LogP7.33
Rot. Bonds5

About (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide

(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide (PubChem CID 127033348) has the molecular formula C38H59N3O3 and a molecular weight of 605.91 g/mol. Its IUPAC name is (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide.

Molecular Properties

Compound Name(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide
PubChem CID127033348
Molecular FormulaC38H59N3O3
Molecular Weight605.91 g/mol
Exact Mass605.46
IUPAC Name(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide
SMILESCC1(C)CC[C@]2(C(=O)NCCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIInChI=1S/C38H59N3O3/c1-33(2)13-15-38(32(42)39-17-8-18-41-19-21-43-22-20-41)16-14-36(6)27(28(38)24-33)9-10-30-35(5)23-26-25-40-44-31(26)34(3,4)29(35)11-12-37(30,36)7/h9,25,28-30H,8,10-24H2,1-7H3,(H,39,42)/t28-,29-,30+,35-,36+,37+,38-/m0/s1
InChIKeyPWEWOIQZTIVNJQ-RXLVGJJOSA-N
XLogP7.33
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.91
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide?
The IUPAC name of (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide (CID 127033348) is (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide.
What is the SMILES notation for (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide?
The canonical SMILES for (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide is CC1(C)CC[C@]2(C(=O)NCCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1.
What is the InChIKey of (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide?
The InChIKey is PWEWOIQZTIVNJQ-RXLVGJJOSA-N. The full InChI is InChI=1S/C38H59N3O3/c1-33(2)13-15-38(32(42)39-17-8-18-41-19-21-43-22-20-41)16-14-36(6)27(28(38)24-33)9-10-30-35(5)23-26-25-40-44-31(26)34(3,4)29(35)11-12-37(30,36)7/h9,25,28-30H,8,10-24H2,1-7H3,(H,39,42)/t28-,29-,30+,35-,36+,37+,38-/m0/s1.
What are the key properties of (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide?
(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide has a molecular weight of 605.91 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-N-(3-morpholin-4-ylpropyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxamide is sourced from PubChem (CID 127033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).