4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid

C17H23NO3 — CID 120509651

IUPAC4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1/C=C/CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-21-16-7-3-2-5-13(16)6-4-12-18-15-10-8-14(9-11-15)17(19)20/h2-7,14-15,18H,8-12H2,1H3,(H,19,20)/b6-4+
InChIKeySRJSDRQOPHDFOW-GQCTYLIASA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds6

About 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid

4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120509651) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120509651
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1/C=C/CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-21-16-7-3-2-5-13(16)6-4-12-18-15-10-8-14(9-11-15)17(19)20/h2-7,14-15,18H,8-12H2,1H3,(H,19,20)/b6-4+
InChIKeySRJSDRQOPHDFOW-GQCTYLIASA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124263
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CID 54289019
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
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CID 79347726
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
CID 56823427
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
4-[(2-methoxy-4-phenylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509709
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid (CID 120509651) is 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1/C=C/CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SRJSDRQOPHDFOW-GQCTYLIASA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-16-7-3-2-5-13(16)6-4-12-18-15-10-8-14(9-11-15)17(19)20/h2-7,14-15,18H,8-12H2,1H3,(H,19,20)/b6-4+.
What are the key properties of 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid?
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120509651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).