3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide

C16H24ClNO7 — CID 108790085

IUPAC3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO7/c1-18(8-12(20)15(23)16(24)13(21)9-19)14(22)6-7-25-11-4-2-10(17)3-5-11/h2-5,12-13,15-16,19-21,23-24H,6-9H2,1H3
InChIKeyAJWAHJOMHSUFRR-UHFFFAOYSA-N
MW377.82 g/mol
LogP-1.00
Rot. Bonds10

About 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide

3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide (PubChem CID 108790085) has the molecular formula C16H24ClNO7 and a molecular weight of 377.82 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
PubChem CID108790085
Molecular FormulaC16H24ClNO7
Molecular Weight377.82 g/mol
Exact Mass377.12
IUPAC Name3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO7/c1-18(8-12(20)15(23)16(24)13(21)9-19)14(22)6-7-25-11-4-2-10(17)3-5-11/h2-5,12-13,15-16,19-21,23-24H,6-9H2,1H3
InChIKeyAJWAHJOMHSUFRR-UHFFFAOYSA-N
XLogP-1.00
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide
CID 108795484
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
CID 108796297
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
4-bromo-1-(4-chlorophenoxy)pentan-3-one
CID 88764306
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
3-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)-N-methylpropanamide
CID 62334608
(2R,3R,4R,5R)-6-[2-(4-ethylphenoxy)ethyl-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexane-1,2,3,4,5-pentol
CID 122451727
(2R,3S,4R,5R)-N-[2-(4-ethylphenoxy)ethyl]-2,3,4,5,6-pentahydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 122451713

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide (CID 108790085) is 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide is CN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
The InChIKey is AJWAHJOMHSUFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO7/c1-18(8-12(20)15(23)16(24)13(21)9-19)14(22)6-7-25-11-4-2-10(17)3-5-11/h2-5,12-13,15-16,19-21,23-24H,6-9H2,1H3.
What are the key properties of 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide?
3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide has a molecular weight of 377.82 g/mol, XLogP of -1.00, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide is sourced from PubChem (CID 108790085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).