N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide

C25H24N2O3 — CID 42579530

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H24N2O3/c28-24(26-17-23-10-5-15-30-23)21-8-4-9-22(16-21)27-25(29)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,26,28)(H,27,29)/t23-/m0/s1
InChIKeyFPEPFSHCMAEZAW-QHCPKHFHSA-N
MW400.48 g/mol
LogP4.51
Rot. Bonds6

About N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide (PubChem CID 42579530) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
PubChem CID42579530
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C25H24N2O3/c28-24(26-17-23-10-5-15-30-23)21-8-4-9-22(16-21)27-25(29)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,26,28)(H,27,29)/t23-/m0/s1
InChIKeyFPEPFSHCMAEZAW-QHCPKHFHSA-N
XLogP4.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
3-[(4-methylbenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202627
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide (CID 42579530) is N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide is O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide?
The InChIKey is FPEPFSHCMAEZAW-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24(26-17-23-10-5-15-30-23)21-8-4-9-22(16-21)27-25(29)20-13-11-19(12-14-20)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,23H,5,10,15,17H2,(H,26,28)(H,27,29)/t23-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide is sourced from PubChem (CID 42579530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).