N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide

C22H26N2O4 — CID 41145376

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H26N2O4/c25-21(13-7-15-27-17-8-2-1-3-9-17)24-20-12-5-4-11-19(20)22(26)23-16-18-10-6-14-28-18/h1-5,8-9,11-12,18H,6-7,10,13-16H2,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyLOKZHJAJAXRPJN-SFHVURJKSA-N
MW382.46 g/mol
LogP3.39
Rot. Bonds9

About N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide (PubChem CID 41145376) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
PubChem CID41145376
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
SMILESO=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C22H26N2O4/c25-21(13-7-15-27-17-8-2-1-3-9-17)24-20-12-5-4-11-19(20)22(26)23-16-18-10-6-14-28-18/h1-5,8-9,11-12,18H,6-7,10,13-16H2,(H,23,26)(H,24,25)/t18-/m0/s1
InChIKeyLOKZHJAJAXRPJN-SFHVURJKSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-fluorophenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43059773
N-[[(2R)-oxolan-2-yl]methyl]-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 42427228
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-4-phenoxybutanamide
CID 55527219
2-[(4-heptoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4950696
2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40768505
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310
2-[3-(furan-2-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013881
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 41210911

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide (CID 41145376) is N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide is O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide?
The InChIKey is LOKZHJAJAXRPJN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(13-7-15-27-17-8-2-1-3-9-17)24-20-12-5-4-11-19(20)22(26)23-16-18-10-6-14-28-18/h1-5,8-9,11-12,18H,6-7,10,13-16H2,(H,23,26)(H,24,25)/t18-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 41145376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).