N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide

C26H32N4O3 — CID 58074272

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CCCCCCN(C(=O)C1CCCN1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C26H32N4O3/c31-25(29-33)7-3-1-2-4-17-30(26(32)23-6-5-15-27-23)22-12-10-19(11-13-22)21-9-8-20-14-16-28-24(20)18-21/h8-14,16,18,23,27-28,33H,1-7,15,17H2,(H,29,31)
InChIKeyDKOGVLWUCIFPMT-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.38
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 58074272) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID58074272
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(CCCCCCN(C(=O)C1CCCN1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO
InChIInChI=1S/C26H32N4O3/c31-25(29-33)7-3-1-2-4-17-30(26(32)23-6-5-15-27-23)22-12-10-19(11-13-22)21-9-8-20-14-16-28-24(20)18-21/h8-14,16,18,23,27-28,33H,1-7,15,17H2,(H,29,31)
InChIKeyDKOGVLWUCIFPMT-UHFFFAOYSA-N
XLogP4.38
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
CID 58074271
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
CID 58074304
4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
CID 87113730
N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
CID 142976567
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860
7-[(4-chlorophenyl)carbamoyl-(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976522
N-butyl-N-phenylpiperidine-2-carboxamide
CID 64587130
(2S)-N-butyl-N-phenylpiperidine-2-carboxamide
CID 104914056
2-(N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61160891
2-(4-chloro-N-[(2S)-pyrrolidine-2-carbonyl]anilino)acetic acid
CID 61161284
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide (CID 58074272) is N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide is O=C(CCCCCCN(C(=O)C1CCCN1)c1ccc(-c2ccc3cc[nH]c3c2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DKOGVLWUCIFPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c31-25(29-33)7-3-1-2-4-17-30(26(32)23-6-5-15-27-23)22-12-10-19(11-13-22)21-9-8-20-14-16-28-24(20)18-21/h8-14,16,18,23,27-28,33H,1-7,15,17H2,(H,29,31).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.38, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58074272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).