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

C22H24ClN3O5 — CID 121062573

IUPACN-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C22H24ClN3O5/c23-16-5-9-18(10-6-16)31-14-20(27)26-17-7-3-15(4-8-17)21(28)24-11-12-25-22(29)19-2-1-13-30-19/h3-10,19H,1-2,11-14H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPYMQUUQHZPUVPS-UHFFFAOYSA-N
MW445.90 g/mol
LogP2.38
Rot. Bonds9

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

N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (PubChem CID 121062573) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
PubChem CID121062573
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC NameN-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1
InChIInChI=1S/C22H24ClN3O5/c23-16-5-9-18(10-6-16)31-14-20(27)26-17-7-3-15(4-8-17)21(28)24-11-12-25-22(29)19-2-1-13-30-19/h3-10,19H,1-2,11-14H2,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPYMQUUQHZPUVPS-UHFFFAOYSA-N
XLogP2.38
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 52.38
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-propan-2-ylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062685
N-[2-[[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062689
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 121062397
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N-[2-[[4-[(4-methoxyphenyl)carbamoylamino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062718
N-[4-(4-chloroanilino)-4-oxobutyl]oxolane-2-carboxamide
CID 47067239
N-[2-[[4-(3-cyclohexylpropanoylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062677
(2R)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]oxolane-2-carboxamide
CID 32936903
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
N-[2-[[4-[(3,4-dimethylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062664
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide (CID 121062573) is N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)NCCNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
The InChIKey is PYMQUUQHZPUVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c23-16-5-9-18(10-6-16)31-14-20(27)26-17-7-3-15(4-8-17)21(28)24-11-12-25-22(29)19-2-1-13-30-19/h3-10,19H,1-2,11-14H2,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide?
N-[2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide has a molecular weight of 445.90 g/mol, XLogP of 2.38, 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-chlorophenoxy)acetyl]amino]benzoyl]amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 121062573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).