CID 174047214

C24H37BN3O7 — CID 174047214

IUPAC—
SMILES[B]=C1C=CC(=O)N1CCC(=O)N1CCOCCN(C(=O)CCC(=O)OC(C)(C)CC)CCOCC1
InChIInChI=1S/C24H37BN3O7/c1-4-24(2,3)35-23(32)8-7-20(29)26-11-15-33-17-13-27(14-18-34-16-12-26)21(30)9-10-28-19(25)5-6-22(28)31/h5-6H,4,7-18H2,1-3H3
InChIKeyQYYWAKMYBGEHJT-UHFFFAOYSA-N
MW490.39 g/mol
LogP0.29
Rot. Bonds8

About CID 174047214

CID 174047214 (PubChem CID 174047214) has the molecular formula C24H37BN3O7 and a molecular weight of 490.39 g/mol.

Molecular Properties

Compound NameCID 174047214
PubChem CID174047214
Molecular FormulaC24H37BN3O7
Molecular Weight490.39 g/mol
Exact Mass490.27
IUPAC Name—
SMILES[B]=C1C=CC(=O)N1CCC(=O)N1CCOCCN(C(=O)CCC(=O)OC(C)(C)CC)CCOCC1
InChIInChI=1S/C24H37BN3O7/c1-4-24(2,3)35-23(32)8-7-20(29)26-11-15-33-17-13-27(14-18-34-16-12-26)21(30)9-10-28-19(25)5-6-22(28)31/h5-6H,4,7-18H2,1-3H3
InChIKeyQYYWAKMYBGEHJT-UHFFFAOYSA-N
XLogP0.29
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 174047214 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

3-methyl-1-(3-morpholin-4-yl-3-oxopropyl)pyrrole-2,5-dione
CID 113224932
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
(1R,2S,6R,7R)-4-(3-morpholin-4-yl-3-oxopropyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 129450185
tert-butyl 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]piperazine-1-carboxylate
CID 90065506
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
tert-butyl 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]propanoate
CID 178129177
tert-butyl 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]propanoate
CID 20740648
3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-4aH-quinazolin-4-one
CID 78341536

Frequently Asked Questions

What is the IUPAC name of CID 174047214?
The IUPAC name of CID 174047214 (CID 174047214) is not available.
What is the SMILES notation for CID 174047214?
The canonical SMILES for CID 174047214 is [B]=C1C=CC(=O)N1CCC(=O)N1CCOCCN(C(=O)CCC(=O)OC(C)(C)CC)CCOCC1.
What is the InChIKey of CID 174047214?
The InChIKey is QYYWAKMYBGEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37BN3O7/c1-4-24(2,3)35-23(32)8-7-20(29)26-11-15-33-17-13-27(14-18-34-16-12-26)21(30)9-10-28-19(25)5-6-22(28)31/h5-6H,4,7-18H2,1-3H3.
What are the key properties of CID 174047214?
CID 174047214 has a molecular weight of 490.39 g/mol, XLogP of 0.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174047214 is sourced from PubChem (CID 174047214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).