2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide

C30H40N2O7 — CID 134595406

IUPAC2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide
SMILESCC(C)(CCOC(C)(C)CCCNC(=O)COc1ccccc1C=O)CNC(=O)COc1ccccc1C=O
InChIInChI=1S/C30H40N2O7/c1-29(2,22-32-28(36)21-38-26-13-8-6-11-24(26)19-34)15-17-39-30(3,4)14-9-16-31-27(35)20-37-25-12-7-5-10-23(25)18-33/h5-8,10-13,18-19H,9,14-17,20-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyQWANXKLGDKXZQQ-UHFFFAOYSA-N
MW540.66 g/mol
LogP3.99
Rot. Bonds18

About 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide

2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide (PubChem CID 134595406) has the molecular formula C30H40N2O7 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide
PubChem CID134595406
Molecular FormulaC30H40N2O7
Molecular Weight540.66 g/mol
Exact Mass540.28
IUPAC Name2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide
SMILESCC(C)(CCOC(C)(C)CCCNC(=O)COc1ccccc1C=O)CNC(=O)COc1ccccc1C=O
InChIInChI=1S/C30H40N2O7/c1-29(2,22-32-28(36)21-38-26-13-8-6-11-24(26)19-34)15-17-39-30(3,4)14-9-16-31-27(35)20-37-25-12-7-5-10-23(25)18-33/h5-8,10-13,18-19H,9,14-17,20-22H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyQWANXKLGDKXZQQ-UHFFFAOYSA-N
XLogP3.99
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
CID 153330138
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033818
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
CID 78801691
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899529
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide (CID 134595406) is 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide is CC(C)(CCOC(C)(C)CCCNC(=O)COc1ccccc1C=O)CNC(=O)COc1ccccc1C=O.
What is the InChIKey of 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide?
The InChIKey is QWANXKLGDKXZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O7/c1-29(2,22-32-28(36)21-38-26-13-8-6-11-24(26)19-34)15-17-39-30(3,4)14-9-16-31-27(35)20-37-25-12-7-5-10-23(25)18-33/h5-8,10-13,18-19H,9,14-17,20-22H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide?
2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide has a molecular weight of 540.66 g/mol, XLogP of 3.99, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide is sourced from PubChem (CID 134595406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).