N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

C23H26ClN3O5 — CID 121062689

IUPACN-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)ccc1Cl
InChIInChI=1S/C23H26ClN3O5/c1-15-13-18(8-9-19(15)24)32-14-21(28)27-17-6-4-16(5-7-17)22(29)25-10-11-26-23(30)20-3-2-12-31-20/h4-9,13,20H,2-3,10-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyHCIFXIPTOUALGF-UHFFFAOYSA-N
MW459.93 g/mol
LogP2.69
Rot. Bonds9

About N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide

N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062689) has the molecular formula C23H26ClN3O5 and a molecular weight of 459.93 g/mol. Its IUPAC name is N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062689
Molecular FormulaC23H26ClN3O5
Molecular Weight459.93 g/mol
Exact Mass459.16
IUPAC NameN-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESCc1cc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)ccc1Cl
InChIInChI=1S/C23H26ClN3O5/c1-15-13-18(8-9-19(15)24)32-14-21(28)27-17-6-4-16(5-7-17)22(29)25-10-11-26-23(30)20-3-2-12-31-20/h4-9,13,20H,2-3,10-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyHCIFXIPTOUALGF-UHFFFAOYSA-N
XLogP2.69
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 52.69
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-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 8000257
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957861
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062689) is N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is Cc1cc(OCC(=O)Nc2ccc(C(=O)NCCNC(=O)C3CCCO3)cc2)ccc1Cl.
What is the InChIKey of N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is HCIFXIPTOUALGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5/c1-15-13-18(8-9-19(15)24)32-14-21(28)27-17-6-4-16(5-7-17)22(29)25-10-11-26-23(30)20-3-2-12-31-20/h4-9,13,20H,2-3,10-12,14H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 459.93 g/mol, XLogP of 2.69, 9 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-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).