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

C26H29N3O4 — CID 54830534

IUPAC2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-19(2)26(31)29-22-10-8-20(9-11-22)27-18-25(30)28-21-12-14-24(15-13-21)33-17-16-32-23-6-4-3-5-7-23/h3-15,19,27H,16-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXLDORMVFFYXVND-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.79
Rot. Bonds11

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

2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54830534) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
PubChem CID54830534
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O4/c1-19(2)26(31)29-22-10-8-20(9-11-22)27-18-25(30)28-21-12-14-24(15-13-21)33-17-16-32-23-6-4-3-5-7-23/h3-15,19,27H,16-18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyXLDORMVFFYXVND-UHFFFAOYSA-N
XLogP4.79
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.79
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
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54821631
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
N-[3-[[2-(4-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54821435
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide (CID 54830534) is 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NCC(=O)Nc2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
The InChIKey is XLDORMVFFYXVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-19(2)26(31)29-22-10-8-20(9-11-22)27-18-25(30)28-21-12-14-24(15-13-21)33-17-16-32-23-6-4-3-5-7-23/h3-15,19,27H,16-18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 447.54 g/mol, XLogP of 4.79, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54830534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).