4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid

C19H27NO4 — CID 122034366

IUPAC4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)OC(=O)CC(NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-13(2)24-18(21)12-17(14-6-4-3-5-7-14)20-16-10-8-15(9-11-16)19(22)23/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,22,23)
InChIKeyAMOLTGLHFYGNLN-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.30
Rot. Bonds7

About 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid

4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122034366) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
PubChem CID122034366
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)OC(=O)CC(NC1CCC(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C19H27NO4/c1-13(2)24-18(21)12-17(14-6-4-3-5-7-14)20-16-10-8-15(9-11-16)19(22)23/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,22,23)
InChIKeyAMOLTGLHFYGNLN-UHFFFAOYSA-N
XLogP3.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
CID 103466167
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
CID 47043068
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
CID 43048320
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
4-[1-(3-ethoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030841
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
propan-2-yl 3-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]-3-phenylpropanoate
CID 55439937

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid (CID 122034366) is 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid is CC(C)OC(=O)CC(NC1CCC(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AMOLTGLHFYGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(2)24-18(21)12-17(14-6-4-3-5-7-14)20-16-10-8-15(9-11-16)19(22)23/h3-7,13,15-17,20H,8-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid?
4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122034366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).