2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid

C19H25NO4 — CID 119183937

IUPAC2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1
InChIInChI=1S/C19H25NO4/c21-18(22)13-24-17-8-4-5-15(11-17)19(23)20(12-14-9-10-14)16-6-2-1-3-7-16/h4-5,8,11,14,16H,1-3,6-7,9-10,12-13H2,(H,21,22)
InChIKeyGHEPBGCVJZPARL-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.33
Rot. Bonds7

About 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid

2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119183937) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
PubChem CID119183937
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1
InChIInChI=1S/C19H25NO4/c21-18(22)13-24-17-8-4-5-15(11-17)19(23)20(12-14-9-10-14)16-6-2-1-3-7-16/h4-5,8,11,14,16H,1-3,6-7,9-10,12-13H2,(H,21,22)
InChIKeyGHEPBGCVJZPARL-UHFFFAOYSA-N
XLogP3.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
CID 119184539
2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
CID 154741966
2-[3-[(2-cyclohexylacetyl)amino]phenoxy]acetic acid
CID 61058468
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
3-[2-[cyclohexyl(methyl)amino]ethoxy]benzoic acid
CID 22680674
2-[3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 119246566

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid (CID 119183937) is 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)N(CC2CC2)C2CCCCC2)c1.
What is the InChIKey of 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GHEPBGCVJZPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c21-18(22)13-24-17-8-4-5-15(11-17)19(23)20(12-14-9-10-14)16-6-2-1-3-7-16/h4-5,8,11,14,16H,1-3,6-7,9-10,12-13H2,(H,21,22).
What are the key properties of 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid?
2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 331.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119183937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).