5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide

C29H38N2O7 — CID 58408911

IUPAC5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOCCOCCOCCOCCOc1ccc(NC(=O)c2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1
InChIInChI=1S/C29H38N2O7/c1-29(2,3)27(32)21-5-10-25-22(19-21)20-26(31-25)28(33)30-23-6-8-24(9-7-23)38-18-17-37-16-15-36-14-13-35-12-11-34-4/h5-10,19-20,31H,11-18H2,1-4H3,(H,30,33)
InChIKeyQTJQTMDCIYZFNS-UHFFFAOYSA-N
MW526.63 g/mol
LogP4.72
Rot. Bonds16

About 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide

5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide (PubChem CID 58408911) has the molecular formula C29H38N2O7 and a molecular weight of 526.63 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
PubChem CID58408911
Molecular FormulaC29H38N2O7
Molecular Weight526.63 g/mol
Exact Mass526.27
IUPAC Name5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
SMILESCOCCOCCOCCOCCOc1ccc(NC(=O)c2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1
InChIInChI=1S/C29H38N2O7/c1-29(2,3)27(32)21-5-10-25-22(19-21)20-26(31-25)28(33)30-23-6-8-24(9-7-23)38-18-17-37-16-15-36-14-13-35-12-11-34-4/h5-10,19-20,31H,11-18H2,1-4H3,(H,30,33)
InChIKeyQTJQTMDCIYZFNS-UHFFFAOYSA-N
XLogP4.72
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-dimethylpropanoyl)-N-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-(4-hydroxyphenyl)-1H-indole-2-carboxamide;5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide;1-[2-[4-(4-hydroxyphenyl)-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]-2,2-dimethylpropan-1-one
CID 158754982
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159878978
N-[4-[6-(2,2-dimethylpropanoyl)-1H-benzimidazol-2-yl]phenyl]-4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 58409034
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 134285576
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159008197
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-(4-methoxybutan-2-yloxy)benzamide
CID 130468392
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide (CID 58408911) is 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide is COCCOCCOCCOCCOc1ccc(NC(=O)c2cc3cc(C(=O)C(C)(C)C)ccc3[nH]2)cc1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide?
The InChIKey is QTJQTMDCIYZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O7/c1-29(2,3)27(32)21-5-10-25-22(19-21)20-26(31-25)28(33)30-23-6-8-24(9-7-23)38-18-17-37-16-15-36-14-13-35-12-11-34-4/h5-10,19-20,31H,11-18H2,1-4H3,(H,30,33).
What are the key properties of 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide?
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 4.72, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 58408911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).