N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide

C23H28N2O3 — CID 8511058

IUPACN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C23H28N2O3/c1-16(2)14-25-11-12-27-17(15-25)13-24-23(26)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyKMDRSHZATQDNDP-KRWDZBQOSA-N
MW380.49 g/mol
LogP3.40
Rot. Bonds5

About N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 8511058) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
PubChem CID8511058
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C23H28N2O3/c1-16(2)14-25-11-12-27-17(15-25)13-24-23(26)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyKMDRSHZATQDNDP-KRWDZBQOSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-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-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 94825344
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24642400
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indazole-3-carboxamide
CID 30538306
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55622876
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 120669400
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369115

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide (CID 8511058) is N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide is CC(C)CN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is KMDRSHZATQDNDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)14-25-11-12-27-17(15-25)13-24-23(26)22-18-7-3-5-9-20(18)28-21-10-6-4-8-19(21)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 8511058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).