CID 140592348

C30H43NO3 — CID 140592348

IUPAC—
SMILESCC1(C)CC[C@]2(O)CC[C@]3(C)[C]([C]2C1)C(=O)C[C@@H]1[C@@]2(C)Cc4cnoc4C(C)(C)[C@@H]2CC[C@]13C
InChIInChI=1S/C30H43NO3/c1-25(2)10-12-30(33)13-11-29(7)23(19(30)16-25)20(32)14-22-27(5)15-18-17-31-34-24(18)26(3,4)21(27)8-9-28(22,29)6/h17,21-22,33H,8-16H2,1-7H3/t21-,22+,27-,28+,29+,30-/m0/s1
InChIKeyJRFLAICPNZASBA-WDJVMFSYSA-N
MW465.68 g/mol
LogP6.41
Rot. Bonds

About CID 140592348

CID 140592348 (PubChem CID 140592348) has the molecular formula C30H43NO3 and a molecular weight of 465.68 g/mol.

Molecular Properties

Compound NameCID 140592348
PubChem CID140592348
Molecular FormulaC30H43NO3
Molecular Weight465.68 g/mol
Exact Mass465.32
IUPAC Name—
SMILESCC1(C)CC[C@]2(O)CC[C@]3(C)[C]([C]2C1)C(=O)C[C@@H]1[C@@]2(C)Cc4cnoc4C(C)(C)[C@@H]2CC[C@]13C
InChIInChI=1S/C30H43NO3/c1-25(2)10-12-30(33)13-11-29(7)23(19(30)16-25)20(32)14-22-27(5)15-18-17-31-34-24(18)26(3,4)21(27)8-9-28(22,29)6/h17,21-22,33H,8-16H2,1-7H3/t21-,22+,27-,28+,29+,30-/m0/s1
InChIKeyJRFLAICPNZASBA-WDJVMFSYSA-N
XLogP6.41
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,5S,10S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 45482885
(1S,5R,14S,15R,23R)-5-hydroxy-1,8,8,15,22,22-hexamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
CID 138579879
(1R,2S,5S,8R,9S,10S,14R,15R,23R)-1,2,8,9,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-5-carboxylic acid
CID 90681552
(1R,2R,5S,10S,11R,12S,14R,15R,23R)-12-hydroxy-1,2,8,8,15,22,22-heptamethyl-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carbaldehyde
CID 88951567
methyl (1R,2R,5S,10S,11R,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-12-nitroso-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-diene-5-carboxylate
CID 90745663
methyl (1R,2R,5S,8S,10S,14R,15R,23R)-1,2,5,8,15,22,22-heptamethyl-13-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-11,17(21),18-triene-8-carboxylate
CID 51886878
2-[[(1R,2R,5S,10S,11S,14R,15R,23R)-1,2,8,8,15,22,22-heptamethyl-12-methylidene-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-5-yl]methyl]isoindole-1,3-dione
CID 89143293
(1R,2R,10R,13R,14R,17S,20S,21R,22R)-2,9,9,13,14-pentamethyl-20-propan-2-yl-7-oxa-6-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylic acid
CID 57385517
(1R,2R,13R,14R,17S,20R)-2,9,9,13,14-pentamethyl-20-prop-1-en-2-yl-7-oxa-6-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylic acid
CID 70692995
(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
1,8,8,15,22,22-hexamethyl-5-(2-methyltetrazol-5-yl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
CID 143880580
(1S,5R,14S,15R)-1,8,8,15,22,22-hexamethyl-5-[(2,2,2-trifluoroethylamino)methyl]-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-17(21),18-dien-12-one
CID 162565855

Frequently Asked Questions

What is the IUPAC name of CID 140592348?
The IUPAC name of CID 140592348 (CID 140592348) is not available.
What is the SMILES notation for CID 140592348?
The canonical SMILES for CID 140592348 is CC1(C)CC[C@]2(O)CC[C@]3(C)[C]([C]2C1)C(=O)C[C@@H]1[C@@]2(C)Cc4cnoc4C(C)(C)[C@@H]2CC[C@]13C.
What is the InChIKey of CID 140592348?
The InChIKey is JRFLAICPNZASBA-WDJVMFSYSA-N. The full InChI is InChI=1S/C30H43NO3/c1-25(2)10-12-30(33)13-11-29(7)23(19(30)16-25)20(32)14-22-27(5)15-18-17-31-34-24(18)26(3,4)21(27)8-9-28(22,29)6/h17,21-22,33H,8-16H2,1-7H3/t21-,22+,27-,28+,29+,30-/m0/s1.
What are the key properties of CID 140592348?
CID 140592348 has a molecular weight of 465.68 g/mol, XLogP of 6.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140592348 is sourced from PubChem (CID 140592348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).