CID 164583595

C21H29NO5 — CID 164583595

IUPAC—
SMILESCC(C)(C)OC(=O)N1c2ccccc2C2(CCC3(CC2)OCCO3)C1(C)O
InChIInChI=1S/C21H29NO5/c1-18(2,3)27-17(23)22-16-8-6-5-7-15(16)20(19(22,4)24)9-11-21(12-10-20)25-13-14-26-21/h5-8,24H,9-14H2,1-4H3
InChIKeyPGUUHSOZOZTBLF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.71
Rot. Bonds

About CID 164583595

CID 164583595 (PubChem CID 164583595) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol.

Molecular Properties

Compound NameCID 164583595
PubChem CID164583595
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1c2ccccc2C2(CCC3(CC2)OCCO3)C1(C)O
InChIInChI=1S/C21H29NO5/c1-18(2,3)27-17(23)22-16-8-6-5-7-15(16)20(19(22,4)24)9-11-21(12-10-20)25-13-14-26-21/h5-8,24H,9-14H2,1-4H3
InChIKeyPGUUHSOZOZTBLF-UHFFFAOYSA-N
XLogP3.71
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 164583595 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

1-O'-tert-butyl 1-O-prop-1-en-2-yl 2-hydroxy-2-methylspiro[indole-3,4'-piperidine]-1,1'-dicarboxylate
CID 89069307
CID 164582213
CID 164582213
tert-butyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylate
CID 11824008
tert-butyl 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,4-benzoxazine-4-carboxylate
CID 91014417
2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroquinolin-4-yl]acetic acid
CID 82372106
tert-butyl 4-oxospiro[3H-isoquinoline-1,1'-cyclopropane]-2-carboxylate
CID 175526815
ditert-butyl (3aR,8bR)-8b-iodo-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate
CID 162412549
tert-butyl 3,5'-dioxospiro[isoindole-1,2'-oxolane]-2-carboxylate
CID 138971207
tert-butyl (2Z,2aS,7bR)-2-[(4-bromophenoxy)methylidene]-2a,7b-dimethyl-1H-cyclobuta[b]indole-3-carboxylate
CID 132603170
tert-butyl 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxylate
CID 10871450
1-O-tert-butyl 2-O-(2-oxoethyl) 2-methyl-3H-indole-1,2-dicarboxylate
CID 175207845
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428

Frequently Asked Questions

What is the IUPAC name of CID 164583595?
The IUPAC name of CID 164583595 (CID 164583595) is not available.
What is the SMILES notation for CID 164583595?
The canonical SMILES for CID 164583595 is CC(C)(C)OC(=O)N1c2ccccc2C2(CCC3(CC2)OCCO3)C1(C)O.
What is the InChIKey of CID 164583595?
The InChIKey is PGUUHSOZOZTBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-18(2,3)27-17(23)22-16-8-6-5-7-15(16)20(19(22,4)24)9-11-21(12-10-20)25-13-14-26-21/h5-8,24H,9-14H2,1-4H3.
What are the key properties of CID 164583595?
CID 164583595 has a molecular weight of 375.47 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164583595 is sourced from PubChem (CID 164583595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).