N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide

C23H29N3O3 — CID 134013164

IUPACN-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-25(18-19-9-11-21(12-10-19)26-14-16-29-17-15-26)22(27)8-5-13-24-23(28)20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,24,28)
InChIKeyNQGURSCJQZTOTA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.69
Rot. Bonds8

About N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide

N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide (PubChem CID 134013164) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
PubChem CID134013164
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-25(18-19-9-11-21(12-10-19)26-14-16-29-17-15-26)22(27)8-5-13-24-23(28)20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,24,28)
InChIKeyNQGURSCJQZTOTA-UHFFFAOYSA-N
XLogP2.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 24516673
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-oxobutyl]benzamide
CID 39758747
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
CID 39490122

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide (CID 134013164) is N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide?
The InChIKey is NQGURSCJQZTOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(18-19-9-11-21(12-10-19)26-14-16-29-17-15-26)22(27)8-5-13-24-23(28)20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3,(H,24,28).
What are the key properties of N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide?
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 134013164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).