N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide

C25H27N3O4 — CID 54835679

IUPACN-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-2-24(29)27-20-10-8-19(9-11-20)26-18-25(30)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,26H,2,16-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyOQDOKGNLLWXTCR-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.54
Rot. Bonds11

About N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide

N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54835679) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
PubChem CID54835679
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27N3O4/c1-2-24(29)27-20-10-8-19(9-11-20)26-18-25(30)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,26H,2,16-18H2,1H3,(H,27,29)(H,28,30)
InChIKeyOQDOKGNLLWXTCR-UHFFFAOYSA-N
XLogP4.54
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.54
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

2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide (CID 54835679) is N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The InChIKey is OQDOKGNLLWXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-24(29)27-20-10-8-19(9-11-20)26-18-25(30)28-21-12-14-23(15-13-21)32-17-16-31-22-6-4-3-5-7-22/h3-15,26H,2,16-18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 4.54, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).