(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide

C14H20F2N2O3 — CID 71849233

IUPAC(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
SMILESC[C@@H](C(=O)NCC(O)COc1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H20F2N2O3/c1-9(18(2)3)14(20)17-7-10(19)8-21-11-4-5-12(15)13(16)6-11/h4-6,9-10,19H,7-8H2,1-3H3,(H,17,20)/t9-,10?/m0/s1
InChIKeyHNQHWTNQZIONNE-RGURZIINSA-N
MW302.32 g/mol
LogP0.77
Rot. Bonds7

About (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide

(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide (PubChem CID 71849233) has the molecular formula C14H20F2N2O3 and a molecular weight of 302.32 g/mol. Its IUPAC name is (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
PubChem CID71849233
Molecular FormulaC14H20F2N2O3
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
SMILESC[C@@H](C(=O)NCC(O)COc1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H20F2N2O3/c1-9(18(2)3)14(20)17-7-10(19)8-21-11-4-5-12(15)13(16)6-11/h4-6,9-10,19H,7-8H2,1-3H3,(H,17,20)/t9-,10?/m0/s1
InChIKeyHNQHWTNQZIONNE-RGURZIINSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
CID 111102907
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide?
The IUPAC name of (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide (CID 71849233) is (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide.
What is the SMILES notation for (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide?
The canonical SMILES for (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide is C[C@@H](C(=O)NCC(O)COc1ccc(F)c(F)c1)N(C)C.
What is the InChIKey of (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide?
The InChIKey is HNQHWTNQZIONNE-RGURZIINSA-N. The full InChI is InChI=1S/C14H20F2N2O3/c1-9(18(2)3)14(20)17-7-10(19)8-21-11-4-5-12(15)13(16)6-11/h4-6,9-10,19H,7-8H2,1-3H3,(H,17,20)/t9-,10?/m0/s1.
What are the key properties of (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide?
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide has a molecular weight of 302.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide is sourced from PubChem (CID 71849233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).