2-amino-5-methoxy-N-morpholin-4-ylbenzamide

C12H17N3O3 — CID 83012888

IUPAC2-amino-5-methoxy-N-morpholin-4-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)NN2CCOCC2)c1
InChIInChI=1S/C12H17N3O3/c1-17-9-2-3-11(13)10(8-9)12(16)14-15-4-6-18-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyZUEAHNBLNGXRKF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.25
Rot. Bonds3

About 2-amino-5-methoxy-N-morpholin-4-ylbenzamide

2-amino-5-methoxy-N-morpholin-4-ylbenzamide (PubChem CID 83012888) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-morpholin-4-ylbenzamide
PubChem CID83012888
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-5-methoxy-N-morpholin-4-ylbenzamide
SMILESCOc1ccc(N)c(C(=O)NN2CCOCC2)c1
InChIInChI=1S/C12H17N3O3/c1-17-9-2-3-11(13)10(8-9)12(16)14-15-4-6-18-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyZUEAHNBLNGXRKF-UHFFFAOYSA-N
XLogP0.25
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
2-amino-5-hydroxy-N-morpholin-4-ylbenzamide
CID 107075854
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
CID 83012420
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
6-methoxy-N-morpholin-4-ylquinoline-3-carboxamide
CID 25222844
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-morpholin-4-ylbenzamide?
The IUPAC name of 2-amino-5-methoxy-N-morpholin-4-ylbenzamide (CID 83012888) is 2-amino-5-methoxy-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-morpholin-4-ylbenzamide?
The canonical SMILES for 2-amino-5-methoxy-N-morpholin-4-ylbenzamide is COc1ccc(N)c(C(=O)NN2CCOCC2)c1.
What is the InChIKey of 2-amino-5-methoxy-N-morpholin-4-ylbenzamide?
The InChIKey is ZUEAHNBLNGXRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-9-2-3-11(13)10(8-9)12(16)14-15-4-6-18-7-5-15/h2-3,8H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-5-methoxy-N-morpholin-4-ylbenzamide?
2-amino-5-methoxy-N-morpholin-4-ylbenzamide has a molecular weight of 251.29 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83012888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).