N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide

C17H26FN3O3 — CID 171659194

IUPACN-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide
SMILESCCOCN(C)CCN(C=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FN3O3/c1-3-23-14-19(2)6-7-21(13-22)15-4-5-17(16(18)12-15)20-8-10-24-11-9-20/h4-5,12-13H,3,6-11,14H2,1-2H3
InChIKeyIGCMWBRZHSGMOQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP1.55
Rot. Bonds9

About N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide

N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide (PubChem CID 171659194) has the molecular formula C17H26FN3O3 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide.

Molecular Properties

Compound NameN-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide
PubChem CID171659194
Molecular FormulaC17H26FN3O3
Molecular Weight339.41 g/mol
Exact Mass339.20
IUPAC NameN-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide
SMILESCCOCN(C)CCN(C=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FN3O3/c1-3-23-14-19(2)6-7-21(13-22)15-4-5-17(16(18)12-15)20-8-10-24-11-9-20/h4-5,12-13H,3,6-11,14H2,1-2H3
InChIKeyIGCMWBRZHSGMOQ-UHFFFAOYSA-N
XLogP1.55
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2,2-diethoxyethyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 66700385
methyl 2-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-4-morpholin-4-ylanilino]acetate
CID 66700410
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 23278484
2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111068321
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
CID 142383850
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
3-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109497178
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide?
The IUPAC name of N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide (CID 171659194) is N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide.
What is the SMILES notation for N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide?
The canonical SMILES for N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide is CCOCN(C)CCN(C=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide?
The InChIKey is IGCMWBRZHSGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3/c1-3-23-14-19(2)6-7-21(13-22)15-4-5-17(16(18)12-15)20-8-10-24-11-9-20/h4-5,12-13H,3,6-11,14H2,1-2H3.
What are the key properties of N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide?
N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide has a molecular weight of 339.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethoxymethyl(methyl)amino]ethyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)formamide is sourced from PubChem (CID 171659194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).