N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

C27H28N2O5 — CID 42427228

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H28N2O5/c30-26(20-8-6-11-22(18-20)34-17-16-33-21-9-2-1-3-10-21)29-25-14-5-4-13-24(25)27(31)28-19-23-12-7-15-32-23/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,28,31)(H,29,30)/t23-/m1/s1
InChIKeyWDTKNEMTSDZLMK-HSZRJFAPSA-N
MW460.53 g/mol
LogP4.31
Rot. Bonds10

About N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 42427228) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID42427228
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H28N2O5/c30-26(20-8-6-11-22(18-20)34-17-16-33-21-9-2-1-3-10-21)29-25-14-5-4-13-24(25)27(31)28-19-23-12-7-15-32-23/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,28,31)(H,29,30)/t23-/m1/s1
InChIKeyWDTKNEMTSDZLMK-HSZRJFAPSA-N
XLogP4.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
2-[(3-butoxybenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4957114
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 42427228) is N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is WDTKNEMTSDZLMK-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N2O5/c30-26(20-8-6-11-22(18-20)34-17-16-33-21-9-2-1-3-10-21)29-25-14-5-4-13-24(25)27(31)28-19-23-12-7-15-32-23/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,28,31)(H,29,30)/t23-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 460.53 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 42427228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).