(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid

C16H24FN3O4 — CID 66700314

IUPAC(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid
SMILESCCc1c(N(CC(O)CN)C(=O)O)ccc(N2CCOCC2)c1F
InChIInChI=1S/C16H24FN3O4/c1-2-12-13(20(16(22)23)10-11(21)9-18)3-4-14(15(12)17)19-5-7-24-8-6-19/h3-4,11,21H,2,5-10,18H2,1H3,(H,22,23)
InChIKeyMSOSIDIDODKDSG-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.03
Rot. Bonds6

About (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid

(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid (PubChem CID 66700314) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid
PubChem CID66700314
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Name(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid
SMILESCCc1c(N(CC(O)CN)C(=O)O)ccc(N2CCOCC2)c1F
InChIInChI=1S/C16H24FN3O4/c1-2-12-13(20(16(22)23)10-11(21)9-18)3-4-14(15(12)17)19-5-7-24-8-6-19/h3-4,11,21H,2,5-10,18H2,1H3,(H,22,23)
InChIKeyMSOSIDIDODKDSG-UHFFFAOYSA-N
XLogP1.03
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 23278484
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-2-morpholin-4-ylphenyl)acetamide
CID 175412427
2-fluoro-N,N,6-trimethyl-3-morpholin-4-ylbenzamide
CID 23156760
benzyl N-[(2S)-2,3-dihydroxypropyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
CID 11961359
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214
ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
CID 142383850
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid?
The IUPAC name of (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid (CID 66700314) is (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid.
What is the SMILES notation for (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid?
The canonical SMILES for (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid is CCc1c(N(CC(O)CN)C(=O)O)ccc(N2CCOCC2)c1F.
What is the InChIKey of (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid?
The InChIKey is MSOSIDIDODKDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4/c1-2-12-13(20(16(22)23)10-11(21)9-18)3-4-14(15(12)17)19-5-7-24-8-6-19/h3-4,11,21H,2,5-10,18H2,1H3,(H,22,23).
What are the key properties of (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid?
(3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid has a molecular weight of 341.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl)-(2-ethyl-3-fluoro-4-morpholin-4-ylphenyl)carbamic acid is sourced from PubChem (CID 66700314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).