N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide

C24H31IN2O3 — CID 132731775

IUPACN-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C24H31IN2O3/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-30-21-13-11-20(25)12-14-21/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29)
InChIKeyMYSUQJNSRVECCL-UHFFFAOYSA-N
MW522.43 g/mol
LogP4.44
Rot. Bonds12

About N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide

N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132731775) has the molecular formula C24H31IN2O3 and a molecular weight of 522.43 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132731775
Molecular FormulaC24H31IN2O3
Molecular Weight522.43 g/mol
Exact Mass522.14
IUPAC NameN-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C24H31IN2O3/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-30-21-13-11-20(25)12-14-21/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29)
InChIKeyMYSUQJNSRVECCL-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132727940
2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132731767
(2R)-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100535565
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
(2S)-2-[[2-(4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635735
(2S)-2-[[2-(4-tert-butylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100635612
(2R)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100635750
N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
CID 132715904
N-butyl-2-[(2-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]butanamide
CID 132736841
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-butylbutanamide
CID 132720002
2-[benzyl-[2-(4-iodophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132727932
N-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132709956

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide (CID 132731775) is N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide is CCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is MYSUQJNSRVECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31IN2O3/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-30-21-13-11-20(25)12-14-21/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide?
N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 522.43 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-iodophenoxy)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132731775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).