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

C32H33N3O3 — CID 54839600

IUPACN-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H33N3O3/c36-31(22-13-26-10-5-2-6-11-26)34-28-16-14-27(15-17-28)33-24-32(37)35-29-18-20-30(21-19-29)38-23-7-12-25-8-3-1-4-9-25/h1-6,8-11,14-21,33H,7,12-13,22-24H2,(H,34,36)(H,35,37)
InChIKeySVUCTRCDPKZHHC-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.32
Rot. Bonds13

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

N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54839600) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54839600
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC NameN-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H33N3O3/c36-31(22-13-26-10-5-2-6-11-26)34-28-16-14-27(15-17-28)33-24-32(37)35-29-18-20-30(21-19-29)38-23-7-12-25-8-3-1-4-9-25/h1-6,8-11,14-21,33H,7,12-13,22-24H2,(H,34,36)(H,35,37)
InChIKeySVUCTRCDPKZHHC-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

N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (CID 54839600) is N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(NCC(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is SVUCTRCDPKZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c36-31(22-13-26-10-5-2-6-11-26)34-28-16-14-27(15-17-28)33-24-32(37)35-29-18-20-30(21-19-29)38-23-7-12-25-8-3-1-4-9-25/h1-6,8-11,14-21,33H,7,12-13,22-24H2,(H,34,36)(H,35,37).
What are the key properties of N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-oxo-2-[4-(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-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54839600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).