3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C24H30N2O2 — CID 124856755

IUPAC3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESC[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C24H30N2O2/c1-17-22(19-8-3-2-4-9-19)14-23(17)25-15-18-7-5-10-20(13-18)24(27)26-16-21-11-6-12-28-21/h2-5,7-10,13,17,21-23,25H,6,11-12,14-16H2,1H3,(H,26,27)/t17-,21+,22-,23+/m0/s1
InChIKeyRCCSECDDTADPIZ-VQROGVPDSA-N
MW378.52 g/mol
LogP3.88
Rot. Bonds7

About 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 124856755) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID124856755
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESC[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C24H30N2O2/c1-17-22(19-8-3-2-4-9-19)14-23(17)25-15-18-7-5-10-20(13-18)24(27)26-16-21-11-6-12-28-21/h2-5,7-10,13,17,21-23,25H,6,11-12,14-16H2,1H3,(H,26,27)/t17-,21+,22-,23+/m0/s1
InChIKeyRCCSECDDTADPIZ-VQROGVPDSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929
3-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 94816645
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
3-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94816644
3-[[4-(methylamino)butanoylamino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751881
3-amino-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119751885
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111082933
3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119751896
cis-(1R,2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 41098263
3-[[[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111138081

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 124856755) is 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is C[C@H]1[C@@H](c2ccccc2)C[C@H]1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is RCCSECDDTADPIZ-VQROGVPDSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-22(19-8-3-2-4-9-19)14-23(17)25-15-18-7-5-10-20(13-18)24(27)26-16-21-11-6-12-28-21/h2-5,7-10,13,17,21-23,25H,6,11-12,14-16H2,1H3,(H,26,27)/t17-,21+,22-,23+/m0/s1.
What are the key properties of 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 124856755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).