sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid

C19H28NNaO5 — CID 173335961

IUPACsodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
SMILESCOc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H27NO5.Na.H/c1-13-3-7-15(8-4-13)20-18(21)10-6-14-5-9-16(17(11-14)24-2)25-12-19(22)23;;/h5,9,11,13,15H,3-4,6-8,10,12H2,1-2H3,(H,20,21)(H,22,23);;/q;+1;-1
InChIKeyRFFROUXVRSLPLY-UHFFFAOYSA-N
MW373.43 g/mol
LogP-0.10
Rot. Bonds8

About sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid

sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid (PubChem CID 173335961) has the molecular formula C19H28NNaO5 and a molecular weight of 373.43 g/mol. Its IUPAC name is sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
PubChem CID173335961
Molecular FormulaC19H28NNaO5
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Namesodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid
SMILESCOc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCC(=O)O.[H-].[Na+]
InChIInChI=1S/C19H27NO5.Na.H/c1-13-3-7-15(8-4-13)20-18(21)10-6-14-5-9-16(17(11-14)24-2)25-12-19(22)23;;/h5,9,11,13,15H,3-4,6-8,10,12H2,1-2H3,(H,20,21)(H,22,23);;/q;+1;-1
InChIKeyRFFROUXVRSLPLY-UHFFFAOYSA-N
XLogP-0.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
5-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N-(4-methylcyclohexyl)pentanamide;hydrochloride
CID 19004706
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid?
The IUPAC name of sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid (CID 173335961) is sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid.
What is the SMILES notation for sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid?
The canonical SMILES for sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid is COc1cc(CCC(=O)NC2CCC(C)CC2)ccc1OCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid?
The InChIKey is RFFROUXVRSLPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5.Na.H/c1-13-3-7-15(8-4-13)20-18(21)10-6-14-5-9-16(17(11-14)24-2)25-12-19(22)23;;/h5,9,11,13,15H,3-4,6-8,10,12H2,1-2H3,(H,20,21)(H,22,23);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid?
sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid has a molecular weight of 373.43 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]phenoxy]acetic acid is sourced from PubChem (CID 173335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).