N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide

C24H26N4O4 — CID 177380043

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide
SMILESO=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C24H26N4O4/c29-22(26-18-5-1-2-6-18)15-28(14-16-9-11-17(12-10-16)23(30)27-32)24(31)20-13-25-21-8-4-3-7-19(20)21/h3-4,7-13,18,25,32H,1-2,5-6,14-15H2,(H,26,29)(H,27,30)
InChIKeyKGUDHGLURVRSGE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide (PubChem CID 177380043) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide
PubChem CID177380043
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide
SMILESO=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NC1CCCC1
InChIInChI=1S/C24H26N4O4/c29-22(26-18-5-1-2-6-18)15-28(14-16-9-11-17(12-10-16)23(30)27-32)24(31)20-13-25-21-8-4-3-7-19(20)21/h3-4,7-13,18,25,32H,1-2,5-6,14-15H2,(H,26,29)(H,27,30)
InChIKeyKGUDHGLURVRSGE-UHFFFAOYSA-N
XLogP2.99
TPSA114.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide (CID 177380043) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide is O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)c1c[nH]c2ccccc12)NC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide?
The InChIKey is KGUDHGLURVRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c29-22(26-18-5-1-2-6-18)15-28(14-16-9-11-17(12-10-16)23(30)27-32)24(31)20-13-25-21-8-4-3-7-19(20)21/h3-4,7-13,18,25,32H,1-2,5-6,14-15H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 177380043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).