CID 156798207

C31H42LiNO3 — CID 156798207

IUPAC—
SMILESCC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)Cc6cnoc6C(C)(C)C5CC[C@]43C)[C-]2C1.[Li+]
InChIInChI=1S/C31H42NO3.Li/c1-26(2)10-12-31(18-33)13-11-30(7)24(20(31)16-26)21(34)14-23-28(5)15-19-17-32-35-25(19)27(3,4)22(28)8-9-29(23,30)6;/h14,17-18,22,24H,8-13,15-16H2,1-7H3;/q-1;+1/t22?,24-,28-,29+,30+,31+;/m0./s1
InChIKeyDKJDJEKWANEHRO-ZSJBGODASA-N
MW483.62 g/mol
LogP3.83
Rot. Bonds1

About CID 156798207

CID 156798207 (PubChem CID 156798207) has the molecular formula C31H42LiNO3 and a molecular weight of 483.62 g/mol.

Molecular Properties

Compound NameCID 156798207
PubChem CID156798207
Molecular FormulaC31H42LiNO3
Molecular Weight483.62 g/mol
Exact Mass483.33
IUPAC Name—
SMILESCC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)Cc6cnoc6C(C)(C)C5CC[C@]43C)[C-]2C1.[Li+]
InChIInChI=1S/C31H42NO3.Li/c1-26(2)10-12-31(18-33)13-11-30(7)24(20(31)16-26)21(34)14-23-28(5)15-19-17-32-35-25(19)27(3,4)22(28)8-9-29(23,30)6;/h14,17-18,22,24H,8-13,15-16H2,1-7H3;/q-1;+1/t22?,24-,28-,29+,30+,31+;/m0./s1
InChIKeyDKJDJEKWANEHRO-ZSJBGODASA-N
XLogP3.83
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 156798207 with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,5S,10S,11R,15S,23R)-1,2,8,8,15,22,22-heptamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxylic acid
CID 90085290
(1S,2R,5R,15S,23R)-5-(2-hydroxyethyl)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 126683474
(1S,2R,5S,10S,11R,15S,23R)-1,2,8,8,15,22,22-heptamethyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 155791565
(4aR,6aR,11aS)-7,7,11a-trimethyl-2-oxo-3,4,5,6,6a,11-hexahydronaphtho[1,2-f][1,2]benzoxazole-4a-carbaldehyde
CID 58802169
(1S,2R,5S,8R,9S,10S,11R,15S,23R)-5-hydrazinyl-1,2,8,9,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 171454364
(1S,2R,5S,8R,9S,10S,11R,15S,23R)-1,2,8,9,15,22,22-heptamethyl-5-(2-oxoazetidin-1-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 171454288
methyl (1S,2R,5S,15S,22S,23R)-22-ethyl-1,2,8,8,15,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxylate
CID 158271902
(1S,5R,15S)-1,8,8,15,22,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxylic acid
CID 70964046
methyl (1S,2R,6R,10R,11R,15S,22R,23R)-22-formyloxy-1,2,8,8,15,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-6-carboxylate
CID 170137069
(1S,2R,5S,8R,9S,10S,11R,15S,23R)-1,2,8,9,15,22,22-heptamethyl-5-[(2-oxoazetidin-1-yl)methyl]-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-12-one
CID 171454328
methyl (1S,2R,6R,10R,11R,15S,22S)-22-formyloxy-1,2,8,8,15,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-6-carboxylate
CID 170137038
[[amino-[(1S,2R,5S,10S,11R,15S,23R)-1,2,8,8,15,22,22-heptamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-trien-5-yl]methylidene]amino] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 158500055

Frequently Asked Questions

What is the IUPAC name of CID 156798207?
The IUPAC name of CID 156798207 (CID 156798207) is not available.
What is the SMILES notation for CID 156798207?
The canonical SMILES for CID 156798207 is CC1(C)CC[C@]2(C=O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)Cc6cnoc6C(C)(C)C5CC[C@]43C)[C-]2C1.[Li+].
What is the InChIKey of CID 156798207?
The InChIKey is DKJDJEKWANEHRO-ZSJBGODASA-N. The full InChI is InChI=1S/C31H42NO3.Li/c1-26(2)10-12-31(18-33)13-11-30(7)24(20(31)16-26)21(34)14-23-28(5)15-19-17-32-35-25(19)27(3,4)22(28)8-9-29(23,30)6;/h14,17-18,22,24H,8-13,15-16H2,1-7H3;/q-1;+1/t22?,24-,28-,29+,30+,31+;/m0./s1.
What are the key properties of CID 156798207?
CID 156798207 has a molecular weight of 483.62 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156798207 is sourced from PubChem (CID 156798207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).