CID 138502844

C26H37N5O4 — CID 138502844

IUPAC—
SMILESCC1CCC2(CC1)NC(=O)C(C)(C)C(=O)NC1(CCCCC1)C(=O)Nc1ccc(N)cc1NC2=O
InChIInChI=1S/C26H37N5O4/c1-16-9-13-26(14-10-16)23(35)29-19-15-17(27)7-8-18(19)28-22(34)25(11-5-4-6-12-25)30-20(32)24(2,3)21(33)31-26/h7-8,15-16H,4-6,9-14,27H2,1-3H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyJIZQIMFNSPCCBC-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.07
Rot. Bonds

About CID 138502844

CID 138502844 (PubChem CID 138502844) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol.

Molecular Properties

Compound NameCID 138502844
PubChem CID138502844
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name—
SMILESCC1CCC2(CC1)NC(=O)C(C)(C)C(=O)NC1(CCCCC1)C(=O)Nc1ccc(N)cc1NC2=O
InChIInChI=1S/C26H37N5O4/c1-16-9-13-26(14-10-16)23(35)29-19-15-17(27)7-8-18(19)28-22(34)25(11-5-4-6-12-25)30-20(32)24(2,3)21(33)31-26/h7-8,15-16H,4-6,9-14,27H2,1-3H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyJIZQIMFNSPCCBC-UHFFFAOYSA-N
XLogP3.07
TPSA142.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296030
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
CID 113316813
6-propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
6-aminospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 135393443
5,10-dihydrophenazine-2,7-diamine
CID 102238341
3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
CID 82790417
4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296203
3-[(5-amino-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 146373701
4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
CID 104720282
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
CID 81167355

Frequently Asked Questions

What is the IUPAC name of CID 138502844?
The IUPAC name of CID 138502844 (CID 138502844) is not available.
What is the SMILES notation for CID 138502844?
The canonical SMILES for CID 138502844 is CC1CCC2(CC1)NC(=O)C(C)(C)C(=O)NC1(CCCCC1)C(=O)Nc1ccc(N)cc1NC2=O.
What is the InChIKey of CID 138502844?
The InChIKey is JIZQIMFNSPCCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-16-9-13-26(14-10-16)23(35)29-19-15-17(27)7-8-18(19)28-22(34)25(11-5-4-6-12-25)30-20(32)24(2,3)21(33)31-26/h7-8,15-16H,4-6,9-14,27H2,1-3H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33).
What are the key properties of CID 138502844?
CID 138502844 has a molecular weight of 483.61 g/mol, XLogP of 3.07, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138502844 is sourced from PubChem (CID 138502844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).