2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide

C16H22Cl2N2O4 — CID 120790022

IUPAC2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC(O)COc1cccc(Cl)c1Cl)C1CCOCC1
InChIInChI=1S/C16H22Cl2N2O4/c17-12-2-1-3-13(14(12)18)24-9-11(21)8-20-16(22)15(19)10-4-6-23-7-5-10/h1-3,10-11,15,21H,4-9,19H2,(H,20,22)
InChIKeyLOCAEHOHDBSQGY-UHFFFAOYSA-N
MW377.27 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide

2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide (PubChem CID 120790022) has the molecular formula C16H22Cl2N2O4 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
PubChem CID120790022
Molecular FormulaC16H22Cl2N2O4
Molecular Weight377.27 g/mol
Exact Mass376.10
IUPAC Name2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
SMILESNC(C(=O)NCC(O)COc1cccc(Cl)c1Cl)C1CCOCC1
InChIInChI=1S/C16H22Cl2N2O4/c17-12-2-1-3-13(14(12)18)24-9-11(21)8-20-16(22)15(19)10-4-6-23-7-5-10/h1-3,10-11,15,21H,4-9,19H2,(H,20,22)
InChIKeyLOCAEHOHDBSQGY-UHFFFAOYSA-N
XLogP1.60
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
CID 124703892
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
1-(2-chlorophenoxy)-3-[1-(oxan-4-yl)ethylamino]propan-2-ol
CID 103914754
2-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797063
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide (CID 120790022) is 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide is NC(C(=O)NCC(O)COc1cccc(Cl)c1Cl)C1CCOCC1.
What is the InChIKey of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide?
The InChIKey is LOCAEHOHDBSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4/c17-12-2-1-3-13(14(12)18)24-9-11(21)8-20-16(22)15(19)10-4-6-23-7-5-10/h1-3,10-11,15,21H,4-9,19H2,(H,20,22).
What are the key properties of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide has a molecular weight of 377.27 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).