methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate

C24H29NO5 — CID 55774982

IUPACmethyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)N(C)C2CCC(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H29NO5/c1-25(20-12-9-18(10-13-20)17-7-5-4-6-8-17)24(27)19-11-14-21(22(15-19)28-2)30-16-23(26)29-3/h4-8,11,14-15,18,20H,9-10,12-13,16H2,1-3H3
InChIKeyDICIXEJJXLFMJA-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.05
Rot. Bonds7

About methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate

methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate (PubChem CID 55774982) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
PubChem CID55774982
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Namemethyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)N(C)C2CCC(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C24H29NO5/c1-25(20-12-9-18(10-13-20)17-7-5-4-6-8-17)24(27)19-11-14-21(22(15-19)28-2)30-16-23(26)29-3/h4-8,11,14-15,18,20H,9-10,12-13,16H2,1-3H3
InChIKeyDICIXEJJXLFMJA-UHFFFAOYSA-N
XLogP4.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443929
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 51092161
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
CID 5214532
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
CID 134022024
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55774668
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide
CID 55589025
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate (CID 55774982) is methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)N(C)C2CCC(c3ccccc3)CC2)cc1OC.
What is the InChIKey of methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate?
The InChIKey is DICIXEJJXLFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-25(20-12-9-18(10-13-20)17-7-5-4-6-8-17)24(27)19-11-14-21(22(15-19)28-2)30-16-23(26)29-3/h4-8,11,14-15,18,20H,9-10,12-13,16H2,1-3H3.
What are the key properties of methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate?
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate has a molecular weight of 411.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate is sourced from PubChem (CID 55774982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).