N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

C24H31N3O5 — CID 54821463

IUPACN-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C24H31N3O5/c1-30-13-4-12-25-24(29)18-5-2-6-20(15-18)27-23(28)16-26-19-8-10-21(11-9-19)32-17-22-7-3-14-31-22/h2,5-6,8-11,15,22,26H,3-4,7,12-14,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyXCCLZUISMKYETJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.06
Rot. Bonds12

About N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54821463) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54821463
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c1
InChIInChI=1S/C24H31N3O5/c1-30-13-4-12-25-24(29)18-5-2-6-20(15-18)27-23(28)16-26-19-8-10-21(11-9-19)32-17-22-7-3-14-31-22/h2,5-6,8-11,15,22,26H,3-4,7,12-14,16-17H2,1H3,(H,25,29)(H,27,28)
InChIKeyXCCLZUISMKYETJ-UHFFFAOYSA-N
XLogP3.06
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]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-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
N-(3-methoxypropyl)-3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815502
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-butyl-4-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828719
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821563
3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54824689
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54821463) is N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is XCCLZUISMKYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-13-4-12-25-24(29)18-5-2-6-20(15-18)27-23(28)16-26-19-8-10-21(11-9-19)32-17-22-7-3-14-31-22/h2,5-6,8-11,15,22,26H,3-4,7,12-14,16-17H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54821463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).