3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C20H29ClN2O3 — CID 55666927

IUPAC3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H29ClN2O3/c21-17-5-4-6-18(15-17)26-12-7-19(24)22-16-20(8-2-1-3-9-20)23-10-13-25-14-11-23/h4-6,15H,1-3,7-14,16H2,(H,22,24)
InChIKeyUNMGPBRZNJKEQE-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.26
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 55666927) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID55666927
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H29ClN2O3/c21-17-5-4-6-18(15-17)26-12-7-19(24)22-16-20(8-2-1-3-9-20)23-10-13-25-14-11-23/h4-6,15H,1-3,7-14,16H2,(H,22,24)
InChIKeyUNMGPBRZNJKEQE-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
3-(3-chlorophenoxy)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107301836
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 55666927) is 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is O=C(CCOc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is UNMGPBRZNJKEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c21-17-5-4-6-18(15-17)26-12-7-19(24)22-16-20(8-2-1-3-9-20)23-10-13-25-14-11-23/h4-6,15H,1-3,7-14,16H2,(H,22,24).
What are the key properties of 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 380.92 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 55666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).