N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide

C24H28N2O4 — CID 56553400

IUPACN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NC(c1ccc2c(c1)OCCO2)C1CC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H28N2O4/c27-24(20-3-1-2-17(14-20)16-26-8-10-28-11-9-26)25-23(18-4-5-18)19-6-7-21-22(15-19)30-13-12-29-21/h1-3,6-7,14-15,18,23H,4-5,8-13,16H2,(H,25,27)
InChIKeyBOQPUCQVDULBJV-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.17
Rot. Bonds6

About N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 56553400) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide
PubChem CID56553400
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NC(c1ccc2c(c1)OCCO2)C1CC1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C24H28N2O4/c27-24(20-3-1-2-17(14-20)16-26-8-10-28-11-9-26)25-23(18-4-5-18)19-6-7-21-22(15-19)30-13-12-29-21/h1-3,6-7,14-15,18,23H,4-5,8-13,16H2,(H,25,27)
InChIKeyBOQPUCQVDULBJV-UHFFFAOYSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)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-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
CID 43908479
N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 94013067
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-propan-2-ylbenzamide
CID 55919900
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182242
N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-3-(morpholin-4-ylmethyl)benzamide
CID 125043990
4-(benzenesulfonylmethyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]benzamide
CID 55921711
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
N-(2-cyclohexylsulfanylethyl)-3-(morpholin-4-ylmethyl)benzamide
CID 92682584
3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 42858745
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 133230460
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9258728

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide (CID 56553400) is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide is O=C(NC(c1ccc2c(c1)OCCO2)C1CC1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is BOQPUCQVDULBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-24(20-3-1-2-17(14-20)16-26-8-10-28-11-9-26)25-23(18-4-5-18)19-6-7-21-22(15-19)30-13-12-29-21/h1-3,6-7,14-15,18,23H,4-5,8-13,16H2,(H,25,27).
What are the key properties of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide?
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 56553400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).