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

C20H25N3O3 — CID 28688985

IUPACN-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1
InChIInChI=1S/C20H25N3O3/c1-2-10-26-17-5-3-4-15(13-17)20(24)22-16-6-7-19(18(21)14-16)23-8-11-25-12-9-23/h3-7,13-14H,2,8-12,21H2,1H3,(H,22,24)
InChIKeyDGBJUXZRXSNIJH-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.15
Rot. Bonds6

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

N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide (PubChem CID 28688985) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
PubChem CID28688985
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1
InChIInChI=1S/C20H25N3O3/c1-2-10-26-17-5-3-4-15(13-17)20(24)22-16-6-7-19(18(21)14-16)23-8-11-25-12-9-23/h3-7,13-14H,2,8-12,21H2,1H3,(H,22,24)
InChIKeyDGBJUXZRXSNIJH-UHFFFAOYSA-N
XLogP3.15
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.15
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-methoxybenzamide
CID 28688979
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
methyl 2-morpholin-4-yl-5-[(4-propoxybenzoyl)amino]benzoate
CID 7328734
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-butoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220869
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propoxybenzamide
CID 91675876
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide (CID 28688985) is N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide?
The InChIKey is DGBJUXZRXSNIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-10-26-17-5-3-4-15(13-17)20(24)22-16-6-7-19(18(21)14-16)23-8-11-25-12-9-23/h3-7,13-14H,2,8-12,21H2,1H3,(H,22,24).
What are the key properties of N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide?
N-(3-amino-4-morpholin-4-ylphenyl)-3-propoxybenzamide has a molecular weight of 355.44 g/mol, XLogP of 3.15, 6 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-propoxybenzamide is sourced from PubChem (CID 28688985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).