[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid

C18H21N3O4 — CID 68662271

IUPAC[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid
SMILESNc1ccc(Oc2cccc(N3CCOCC3)c2)cc1CNC(=O)O
InChIInChI=1S/C18H21N3O4/c19-17-5-4-16(10-13(17)12-20-18(22)23)25-15-3-1-2-14(11-15)21-6-8-24-9-7-21/h1-5,10-11,20H,6-9,12,19H2,(H,22,23)
InChIKeyYDKOITOPTIVONX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.67
Rot. Bonds5

About [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid

[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid (PubChem CID 68662271) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid
PubChem CID68662271
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid
SMILESNc1ccc(Oc2cccc(N3CCOCC3)c2)cc1CNC(=O)O
InChIInChI=1S/C18H21N3O4/c19-17-5-4-16(10-13(17)12-20-18(22)23)25-15-3-1-2-14(11-15)21-6-8-24-9-7-21/h1-5,10-11,20H,6-9,12,19H2,(H,22,23)
InChIKeyYDKOITOPTIVONX-UHFFFAOYSA-N
XLogP2.67
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid?
The IUPAC name of [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid (CID 68662271) is [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid.
What is the SMILES notation for [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid?
The canonical SMILES for [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid is Nc1ccc(Oc2cccc(N3CCOCC3)c2)cc1CNC(=O)O.
What is the InChIKey of [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid?
The InChIKey is YDKOITOPTIVONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c19-17-5-4-16(10-13(17)12-20-18(22)23)25-15-3-1-2-14(11-15)21-6-8-24-9-7-21/h1-5,10-11,20H,6-9,12,19H2,(H,22,23).
What are the key properties of [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid?
[2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid has a molecular weight of 343.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(3-morpholin-4-ylphenoxy)phenyl]methylcarbamic acid is sourced from PubChem (CID 68662271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).