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

C18H21N3O3 — CID 28688979

IUPACN-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-4-2-3-13(11-15)18(22)20-14-5-6-17(16(19)12-14)21-7-9-24-10-8-21/h2-6,11-12H,7-10,19H2,1H3,(H,20,22)
InChIKeyPWSAMWQTKVBUGG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide (PubChem CID 28688979) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
PubChem CID28688979
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1
InChIInChI=1S/C18H21N3O3/c1-23-15-4-2-3-13(11-15)18(22)20-14-5-6-17(16(19)12-14)21-7-9-24-10-8-21/h2-6,11-12H,7-10,19H2,1H3,(H,20,22)
InChIKeyPWSAMWQTKVBUGG-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-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
CID 28688985
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
5-[(3-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751409
N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-methoxybenzamide
CID 7379395
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide (CID 28688979) is N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide?
The InChIKey is PWSAMWQTKVBUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-4-2-3-13(11-15)18(22)20-14-5-6-17(16(19)12-14)21-7-9-24-10-8-21/h2-6,11-12H,7-10,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide?
N-(3-amino-4-morpholin-4-ylphenyl)-3-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-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 28688979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).