[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone

C14H20N2O4 — CID 168593580

IUPAC[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(NCC(O)CO)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O4/c17-10-13(18)9-15-12-3-1-2-11(8-12)14(19)16-4-6-20-7-5-16/h1-3,8,13,15,17-18H,4-7,9-10H2
InChIKeyBJYVTMXBGZDFEE-UHFFFAOYSA-N
MW280.32 g/mol
LogP-0.08
Rot. Bonds5

About [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone

[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 168593580) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID168593580
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(NCC(O)CO)c1)N1CCOCC1
InChIInChI=1S/C14H20N2O4/c17-10-13(18)9-15-12-3-1-2-11(8-12)14(19)16-4-6-20-7-5-16/h1-3,8,13,15,17-18H,4-7,9-10H2
InChIKeyBJYVTMXBGZDFEE-UHFFFAOYSA-N
XLogP-0.08
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
[3-(2,3-dihydroxypropylamino)-5-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 168596983
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
N-methyl-2-[3-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54836368
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone (CID 168593580) is [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(NCC(O)CO)c1)N1CCOCC1.
What is the InChIKey of [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is BJYVTMXBGZDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-10-13(18)9-15-12-3-1-2-11(8-12)14(19)16-4-6-20-7-5-16/h1-3,8,13,15,17-18H,4-7,9-10H2.
What are the key properties of [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone?
[3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 280.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroxypropylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 168593580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).