(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide

C19H25ClN2O4 — CID 94370840

IUPAC(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CCO1
InChIInChI=1S/C19H25ClN2O4/c20-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-12-18(23)22-8-9-25-17(11-22)19(21)24/h6-7,10,13,17H,1-5,8-9,11-12H2,(H2,21,24)/t17-/m1/s1
InChIKeyDPWAKIWZDCTXGP-QGZVFWFLSA-N
MW380.87 g/mol
LogP2.48
Rot. Bonds5

About (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide

(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide (PubChem CID 94370840) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
PubChem CID94370840
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CCO1
InChIInChI=1S/C19H25ClN2O4/c20-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-12-18(23)22-8-9-25-17(11-22)19(21)24/h6-7,10,13,17H,1-5,8-9,11-12H2,(H2,21,24)/t17-/m1/s1
InChIKeyDPWAKIWZDCTXGP-QGZVFWFLSA-N
XLogP2.48
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 78889023
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
2-(4-chloro-2-cyclohexylphenoxy)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 55773325
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide
CID 49417784
2-(4-chloro-2-cyclohexylphenoxy)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 125418862
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
1-[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 94929566
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 110603811

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide (CID 94370840) is (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)COc2ccc(Cl)cc2C2CCCCC2)CCO1.
What is the InChIKey of (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide?
The InChIKey is DPWAKIWZDCTXGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c20-14-6-7-16(15(10-14)13-4-2-1-3-5-13)26-12-18(23)22-8-9-25-17(11-22)19(21)24/h6-7,10,13,17H,1-5,8-9,11-12H2,(H2,21,24)/t17-/m1/s1.
What are the key properties of (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide?
(2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide has a molecular weight of 380.87 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-chloro-2-cyclohexylphenoxy)acetyl]morpholine-2-carboxamide is sourced from PubChem (CID 94370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).