N-(3-amino-4-morpholin-4-ylphenyl)acetamide

C12H17N3O2 — CID 42560587

IUPACN-(3-amino-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyRKMPUHMDPRKHKQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds2

About N-(3-amino-4-morpholin-4-ylphenyl)acetamide

N-(3-amino-4-morpholin-4-ylphenyl)acetamide (PubChem CID 42560587) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-amino-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-morpholin-4-ylphenyl)acetamide
PubChem CID42560587
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-amino-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(N2CCOCC2)c(N)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyRKMPUHMDPRKHKQ-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(3-isocyano-4-morpholin-4-ylphenyl)acetamide
CID 58789195
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 28689034
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid
CID 70195470
5-methyl-2-morpholin-4-ylaniline
CID 18952141
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
CID 30490824

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)acetamide (CID 42560587) is N-(3-amino-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3-amino-4-morpholin-4-ylphenyl)acetamide is CC(=O)Nc1ccc(N2CCOCC2)c(N)c1.
What is the InChIKey of N-(3-amino-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RKMPUHMDPRKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)14-10-2-3-12(11(13)8-10)15-4-6-17-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16).
What are the key properties of N-(3-amino-4-morpholin-4-ylphenyl)acetamide?
N-(3-amino-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 42560587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).