2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone

C16H23ClN2O5 — CID 168639306

IUPAC2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(NCC(O)CCl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H23ClN2O5/c1-22-15-8-12(18-10-13(20)9-17)2-3-14(15)24-11-16(21)19-4-6-23-7-5-19/h2-3,8,13,18,20H,4-7,9-11H2,1H3
InChIKeyXBDOACGOSCZSPW-UHFFFAOYSA-N
MW358.82 g/mol
LogP0.94
Rot. Bonds8

About 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone

2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone (PubChem CID 168639306) has the molecular formula C16H23ClN2O5 and a molecular weight of 358.82 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
PubChem CID168639306
Molecular FormulaC16H23ClN2O5
Molecular Weight358.82 g/mol
Exact Mass358.13
IUPAC Name2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(NCC(O)CCl)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C16H23ClN2O5/c1-22-15-8-12(18-10-13(20)9-17)2-3-14(15)24-11-16(21)19-4-6-23-7-5-19/h2-3,8,13,18,20H,4-7,9-11H2,1H3
InChIKeyXBDOACGOSCZSPW-UHFFFAOYSA-N
XLogP0.94
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenoxy]-1-morpholin-4-ylethanone
CID 168639205
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
CID 16762834
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone (CID 168639306) is 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone is COc1cc(NCC(O)CCl)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone?
The InChIKey is XBDOACGOSCZSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O5/c1-22-15-8-12(18-10-13(20)9-17)2-3-14(15)24-11-16(21)19-4-6-23-7-5-19/h2-3,8,13,18,20H,4-7,9-11H2,1H3.
What are the key properties of 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone?
2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone has a molecular weight of 358.82 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 168639306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).