2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C15H23N3O3 — CID 80503310

IUPAC2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19)
InChIKeyITTKLZNMPHLXBA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.73
Rot. Bonds6

About 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 80503310) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID80503310
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19)
InChIKeyITTKLZNMPHLXBA-UHFFFAOYSA-N
XLogP0.73
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
2-(difluoromethoxy)-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 119045783
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 80503310) is 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc(C(=O)NCCCN2CCOCC2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is ITTKLZNMPHLXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-20-12-3-4-13(14(16)11-12)15(19)17-5-2-6-18-7-9-21-10-8-18/h3-4,11H,2,5-10,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 293.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 80503310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).