CID 175749396

C17H23LiNO4 — CID 175749396

IUPAC—
SMILESCc1cccc(O[C@@H]2CCN(OC(=O)C3CCOCC3)C2)c1.[Li]
InChIInChI=1S/C17H23NO4.Li/c1-13-3-2-4-15(11-13)21-16-5-8-18(12-16)22-17(19)14-6-9-20-10-7-14;/h2-4,11,14,16H,5-10,12H2,1H3;/t16-;/m1./s1
InChIKeyLBJVRTPEBFJOED-PKLMIRHRSA-N
MW312.31 g/mol
LogP1.95
Rot. Bonds4

About CID 175749396

CID 175749396 (PubChem CID 175749396) has the molecular formula C17H23LiNO4 and a molecular weight of 312.31 g/mol.

Molecular Properties

Compound NameCID 175749396
PubChem CID175749396
Molecular FormulaC17H23LiNO4
Molecular Weight312.31 g/mol
Exact Mass312.18
IUPAC Name—
SMILESCc1cccc(O[C@@H]2CCN(OC(=O)C3CCOCC3)C2)c1.[Li]
InChIInChI=1S/C17H23NO4.Li/c1-13-3-2-4-15(11-13)21-16-5-8-18(12-16)22-17(19)14-6-9-20-10-7-14;/h2-4,11,14,16H,5-10,12H2,1H3;/t16-;/m1./s1
InChIKeyLBJVRTPEBFJOED-PKLMIRHRSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S)-1-[[4-[(3R)-3-(3-methylphenoxy)pyrrolidin-1-yl]oxane-4-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 163365184
[4-(3-methylphenoxy)piperidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 70721483
N-[2-(dimethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 159475474
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
3-(3-methylphenoxy)-N-[(3S)-1-methylpiperidin-3-yl]azetidine-1-carboxamide
CID 125446145
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
3-(oxan-4-yloxy)benzoic acid
CID 23149060
4-(3-ethylphenoxy)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110611191
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
N-[2-(diethylamino)ethyl]-3-(3-methylphenoxy)pyrrolidine-1-carboxamide;oxalic acid
CID 158715651
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
CID 132764813

Frequently Asked Questions

What is the IUPAC name of CID 175749396?
The IUPAC name of CID 175749396 (CID 175749396) is not available.
What is the SMILES notation for CID 175749396?
The canonical SMILES for CID 175749396 is Cc1cccc(O[C@@H]2CCN(OC(=O)C3CCOCC3)C2)c1.[Li].
What is the InChIKey of CID 175749396?
The InChIKey is LBJVRTPEBFJOED-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H23NO4.Li/c1-13-3-2-4-15(11-13)21-16-5-8-18(12-16)22-17(19)14-6-9-20-10-7-14;/h2-4,11,14,16H,5-10,12H2,1H3;/t16-;/m1./s1.
What are the key properties of CID 175749396?
CID 175749396 has a molecular weight of 312.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175749396 is sourced from PubChem (CID 175749396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).