N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C25H31N3O5 — CID 121062685

IUPACN-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C25H31N3O5/c1-17(2)18-7-11-21(12-8-18)33-16-23(29)28-20-9-5-19(6-10-20)24(30)26-13-14-27-25(31)22-4-3-15-32-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyAACXXALJJOBTSS-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.85
Rot. Bonds10

About N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062685) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062685
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C25H31N3O5/c1-17(2)18-7-11-21(12-8-18)33-16-23(29)28-20-9-5-19(6-10-20)24(30)26-13-14-27-25(31)22-4-3-15-32-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyAACXXALJJOBTSS-UHFFFAOYSA-N
XLogP2.85
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062573
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17202238
cyclohexyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 2788654
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062685) is N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is CC(C)c1ccc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is AACXXALJJOBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-17(2)18-7-11-21(12-8-18)33-16-23(29)28-20-9-5-19(6-10-20)24(30)26-13-14-27-25(31)22-4-3-15-32-22/h5-12,17,22H,3-4,13-16H2,1-2H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).