4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

C18H25NO5 — CID 22111951

IUPAC4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(C)C(=O)NC2(C(=O)O)CCC(OC)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-12(13-4-6-14(23-2)7-5-13)16(20)19-18(17(21)22)10-8-15(24-3)9-11-18/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyULXNLXYTSYARGF-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.33
Rot. Bonds6

About 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 22111951) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID22111951
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C(C)C(=O)NC2(C(=O)O)CCC(OC)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-12(13-4-6-14(23-2)7-5-13)16(20)19-18(17(21)22)10-8-15(24-3)9-11-18/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyULXNLXYTSYARGF-UHFFFAOYSA-N
XLogP2.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
1-[2-(4-methoxyphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81164171
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 22112040
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 22327448
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
1-(2-methoxypropanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 115910033
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 119369486

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 22111951) is 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is COc1ccc(C(C)C(=O)NC2(C(=O)O)CCC(OC)CC2)cc1.
What is the InChIKey of 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ULXNLXYTSYARGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(13-4-6-14(23-2)7-5-13)16(20)19-18(17(21)22)10-8-15(24-3)9-11-18/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22111951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).