N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide

C18H28FN3O4 — CID 74577842

IUPACN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCN(C)CCN(C)C1C(CNC(=O)c2cccc(F)c2)OC(CO)C1O
InChIInChI=1S/C18H28FN3O4/c1-21(2)7-8-22(3)16-14(26-15(11-23)17(16)24)10-20-18(25)12-5-4-6-13(19)9-12/h4-6,9,14-17,23-24H,7-8,10-11H2,1-3H3,(H,20,25)
InChIKeyPNNGBOHBGNIZKV-UHFFFAOYSA-N
MW369.44 g/mol
LogP-0.46
Rot. Bonds8

About N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide

N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide (PubChem CID 74577842) has the molecular formula C18H28FN3O4 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
PubChem CID74577842
Molecular FormulaC18H28FN3O4
Molecular Weight369.44 g/mol
Exact Mass369.21
IUPAC NameN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
SMILESCN(C)CCN(C)C1C(CNC(=O)c2cccc(F)c2)OC(CO)C1O
InChIInChI=1S/C18H28FN3O4/c1-21(2)7-8-22(3)16-14(26-15(11-23)17(16)24)10-20-18(25)12-5-4-6-13(19)9-12/h4-6,9,14-17,23-24H,7-8,10-11H2,1-3H3,(H,20,25)
InChIKeyPNNGBOHBGNIZKV-UHFFFAOYSA-N
XLogP-0.46
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R,3R,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-methoxybenzamide
CID 28961452
1-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-phenylurea
CID 74577853
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 74578383
3-chloro-4-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-pyridin-2-ylethyl)amino]oxolan-2-yl]methyl]benzamide
CID 28962252
1-[[(2R,3S,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-thiophen-3-ylurea
CID 162885565
N-[[(2R,3S,4R,5S)-5-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390203
3-fluoro-N-[[4-hydroxy-5-(hydroxymethyl)-3-(4-phenylpiperazin-1-yl)oxolan-2-yl]methyl]benzamide
CID 74577823
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 162875462
(2S,3S,4R,5R)-5-[[bis[(4-fluorophenyl)methyl]amino]methyl]-4-[2-(dimethylamino)ethyl-methylamino]-2-(hydroxymethyl)oxolan-3-ol;trihydrochloride
CID 146118541
3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005334
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide;hydrochloride
CID 146118861
N-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 40780658

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide (CID 74577842) is N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide is CN(C)CCN(C)C1C(CNC(=O)c2cccc(F)c2)OC(CO)C1O.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide?
The InChIKey is PNNGBOHBGNIZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O4/c1-21(2)7-8-22(3)16-14(26-15(11-23)17(16)24)10-20-18(25)12-5-4-6-13(19)9-12/h4-6,9,14-17,23-24H,7-8,10-11H2,1-3H3,(H,20,25).
What are the key properties of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide?
N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide has a molecular weight of 369.44 g/mol, XLogP of -0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 74577842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).