N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide

C12H17N3O3 — CID 137443506

IUPACN-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide
SMILESCOc1cc(N2CCOCC2)c(N)cc1NC=O
InChIInChI=1S/C12H17N3O3/c1-17-12-7-11(15-2-4-18-5-3-15)9(13)6-10(12)14-8-16/h6-8H,2-5,13H2,1H3,(H,14,16)
InChIKeyZSPQHOPJNKYUBZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.68
Rot. Bonds4

About N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide

N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide (PubChem CID 137443506) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide
PubChem CID137443506
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide
SMILESCOc1cc(N2CCOCC2)c(N)cc1NC=O
InChIInChI=1S/C12H17N3O3/c1-17-12-7-11(15-2-4-18-5-3-15)9(13)6-10(12)14-8-16/h6-8H,2-5,13H2,1H3,(H,14,16)
InChIKeyZSPQHOPJNKYUBZ-UHFFFAOYSA-N
XLogP0.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide?
The IUPAC name of N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide (CID 137443506) is N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide.
What is the SMILES notation for N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide?
The canonical SMILES for N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide is COc1cc(N2CCOCC2)c(N)cc1NC=O.
What is the InChIKey of N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide?
The InChIKey is ZSPQHOPJNKYUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12-7-11(15-2-4-18-5-3-15)9(13)6-10(12)14-8-16/h6-8H,2-5,13H2,1H3,(H,14,16).
What are the key properties of N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide?
N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide has a molecular weight of 251.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxy-4-morpholin-4-ylphenyl)formamide is sourced from PubChem (CID 137443506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).