N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

C32H33N3O3 — CID 54839684

IUPACN-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C32H33N3O3/c36-31(22-17-26-12-5-2-6-13-26)34-28-20-18-27(19-21-28)33-24-32(37)35-29-15-7-8-16-30(29)38-23-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-16,18-21,33H,9,14,17,22-24H2,(H,34,36)(H,35,37)
InChIKeyGAYAEWZKSQLXQP-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.32
Rot. Bonds13

About N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54839684) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54839684
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC NameN-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C32H33N3O3/c36-31(22-17-26-12-5-2-6-13-26)34-28-20-18-27(19-21-28)33-24-32(37)35-29-15-7-8-16-30(29)38-23-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-16,18-21,33H,9,14,17,22-24H2,(H,34,36)(H,35,37)
InChIKeyGAYAEWZKSQLXQP-UHFFFAOYSA-N
XLogP6.32
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
2-methyl-N-[4-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827227
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (CID 54839684) is N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is GAYAEWZKSQLXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c36-31(22-17-26-12-5-2-6-13-26)34-28-20-18-27(19-21-28)33-24-32(37)35-29-15-7-8-16-30(29)38-23-9-14-25-10-3-1-4-11-25/h1-8,10-13,15-16,18-21,33H,9,14,17,22-24H2,(H,34,36)(H,35,37).
What are the key properties of N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 507.63 g/mol, XLogP of 6.32, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54839684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).