N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide

C13H19ClN2O4 — CID 168636880

IUPACN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCC(O)CCl)cc1OC
InChIInChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-9(5-12(11)20-2)15-7-10(17)6-14/h3-5,10,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyHSDKHGFCCRJJDW-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.29
Rot. Bonds8

About N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide

N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide (PubChem CID 168636880) has the molecular formula C13H19ClN2O4 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
PubChem CID168636880
Molecular FormulaC13H19ClN2O4
Molecular Weight302.76 g/mol
Exact Mass302.10
IUPAC NameN-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(NCC(O)CCl)cc1OC
InChIInChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-9(5-12(11)20-2)15-7-10(17)6-14/h3-5,10,15,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyHSDKHGFCCRJJDW-UHFFFAOYSA-N
XLogP1.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-4-methoxybenzamide
CID 168638485
methyl 2-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenoxy]acetate
CID 168637909
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
5-[(3-chloro-2-hydroxypropyl)amino]-2-methoxy-N-methylbenzamide
CID 168637155
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 131889010
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
1-chloro-3-(3-ethynyl-4-methoxyanilino)propan-2-ol
CID 168638664
N-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenyl]-2-methoxyacetamide
CID 168537121
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
1-(4-chloro-3-methoxyanilino)-3-methoxypropan-2-ol
CID 107621631

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide (CID 168636880) is N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(NCC(O)CCl)cc1OC.
What is the InChIKey of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide?
The InChIKey is HSDKHGFCCRJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4/c1-19-8-13(18)16-11-4-3-9(5-12(11)20-2)15-7-10(17)6-14/h3-5,10,15,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide?
N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide has a molecular weight of 302.76 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide is sourced from PubChem (CID 168636880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).