N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide

C30H37N3O3 — CID 54829263

IUPACN-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C30H37N3O3/c1-2-3-4-5-9-21-36-28-14-10-13-27(22-28)31-23-30(35)33-26-18-16-25(17-19-26)32-29(34)20-15-24-11-7-6-8-12-24/h6-8,10-14,16-19,22,31H,2-5,9,15,20-21,23H2,1H3,(H,32,34)(H,33,35)
InChIKeySYJIPVCVEAEFGW-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.66
Rot. Bonds15

About N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide

N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54829263) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54829263
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1
InChIInChI=1S/C30H37N3O3/c1-2-3-4-5-9-21-36-28-14-10-13-27(22-28)31-23-30(35)33-26-18-16-25(17-19-26)32-29(34)20-15-24-11-7-6-8-12-24/h6-8,10-14,16-19,22,31H,2-5,9,15,20-21,23H2,1H3,(H,32,34)(H,33,35)
InChIKeySYJIPVCVEAEFGW-UHFFFAOYSA-N
XLogP6.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.66
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-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54829263) is N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide is CCCCCCCOc1cccc(NCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is SYJIPVCVEAEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-2-3-4-5-9-21-36-28-14-10-13-27(22-28)31-23-30(35)33-26-18-16-25(17-19-26)32-29(34)20-15-24-11-7-6-8-12-24/h6-8,10-14,16-19,22,31H,2-5,9,15,20-21,23H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 487.64 g/mol, XLogP of 6.66, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54829263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).