N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

C24H36N2O6 — CID 99731552

IUPACN-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)COC[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H36N2O6/c1-17(2)14-29-15-20(27)11-25-7-8-30-21(12-25)13-26(10-18-3-4-18)24(28)19-5-6-22-23(9-19)32-16-31-22/h5-6,9,17-18,20-21,27H,3-4,7-8,10-16H2,1-2H3/t20-,21+/m0/s1
InChIKeyIJWSEAPWNMIKCH-LEWJYISDSA-N
MW448.56 g/mol
LogP2.00
Rot. Bonds11

About N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 99731552) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID99731552
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC NameN-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)COC[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H36N2O6/c1-17(2)14-29-15-20(27)11-25-7-8-30-21(12-25)13-26(10-18-3-4-18)24(28)19-5-6-22-23(9-19)32-16-31-22/h5-6,9,17-18,20-21,27H,3-4,7-8,10-16H2,1-2H3/t20-,21+/m0/s1
InChIKeyIJWSEAPWNMIKCH-LEWJYISDSA-N
XLogP2.00
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide 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-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92984239
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 46060142
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059626
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
CID 99731545

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 99731552) is N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is CC(C)COC[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IJWSEAPWNMIKCH-LEWJYISDSA-N. The full InChI is InChI=1S/C24H36N2O6/c1-17(2)14-29-15-20(27)11-25-7-8-30-21(12-25)13-26(10-18-3-4-18)24(28)19-5-6-22-23(9-19)32-16-31-22/h5-6,9,17-18,20-21,27H,3-4,7-8,10-16H2,1-2H3/t20-,21+/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 448.56 g/mol, XLogP of 2.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 99731552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).