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

C14H20Cl2N2O3 — CID 119305104

IUPAC2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-2-4-11(17)14(20)18-7-9(19)8-21-12-6-3-5-10(15)13(12)16/h3,5-6,9,11,19H,2,4,7-8,17H2,1H3,(H,18,20)
InChIKeySVESHVAJCXCUQR-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.98
Rot. Bonds8

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

2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide (PubChem CID 119305104) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
PubChem CID119305104
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
SMILESCCCC(N)C(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-2-4-11(17)14(20)18-7-9(19)8-21-12-6-3-5-10(15)13(12)16/h3,5-6,9,11,19H,2,4,7-8,17H2,1H3,(H,18,20)
InChIKeySVESHVAJCXCUQR-UHFFFAOYSA-N
XLogP1.98
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.98
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
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide (CID 119305104) is 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide is CCCC(N)C(=O)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide?
The InChIKey is SVESHVAJCXCUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-2-4-11(17)14(20)18-7-9(19)8-21-12-6-3-5-10(15)13(12)16/h3,5-6,9,11,19H,2,4,7-8,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide?
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide has a molecular weight of 335.23 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide is sourced from PubChem (CID 119305104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).