N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide

C18H21N3O3 — CID 91675331

IUPACN-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)18(22)20-15-12-13(19)6-7-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyIIAALZKDOVLNHM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds4

About N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide

N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide (PubChem CID 91675331) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
PubChem CID91675331
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(N)ccc1N1CCOCC1
InChIInChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)18(22)20-15-12-13(19)6-7-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22)
InChIKeyIIAALZKDOVLNHM-UHFFFAOYSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
N-(5-amino-2-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 28692731
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
CID 113092681
methyl 3-[(2-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 4896727
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide?
The IUPAC name of N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide (CID 91675331) is N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide?
The canonical SMILES for N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(N)ccc1N1CCOCC1.
What is the InChIKey of N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide?
The InChIKey is IIAALZKDOVLNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-17-5-3-2-4-14(17)18(22)20-15-12-13(19)6-7-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11,19H2,1H3,(H,20,22).
What are the key properties of N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide?
N-(5-amino-2-morpholin-4-ylphenyl)-2-methoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.37, 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-morpholin-4-ylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 91675331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).