3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide

C12H16Cl2N2O3 — CID 119305092

IUPAC3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
SMILESNCCC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-9-2-1-3-10(12(9)14)19-7-8(17)6-16-11(18)4-5-15/h1-3,8,17H,4-7,15H2,(H,16,18)
InChIKeyYVKZIQNZDNAJGQ-UHFFFAOYSA-N
MW307.18 g/mol
LogP1.20
Rot. Bonds7

About 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide

3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide (PubChem CID 119305092) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
PubChem CID119305092
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
SMILESNCCC(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-9-2-1-3-10(12(9)14)19-7-8(17)6-16-11(18)4-5-15/h1-3,8,17H,4-7,15H2,(H,16,18)
InChIKeyYVKZIQNZDNAJGQ-UHFFFAOYSA-N
XLogP1.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
CID 71849299
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-[3-(furan-2-yl)prop-2-enoylamino]propanamide
CID 76870753
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide (CID 119305092) is 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide is NCCC(=O)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide?
The InChIKey is YVKZIQNZDNAJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c13-9-2-1-3-10(12(9)14)19-7-8(17)6-16-11(18)4-5-15/h1-3,8,17H,4-7,15H2,(H,16,18).
What are the key properties of 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide?
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide has a molecular weight of 307.18 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 119305092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).