N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C30H36N4O5 — CID 18379435

IUPACN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)CC(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C30H36N4O5/c1-20(2)16-28(36)34-14-12-30(13-15-34,18-27(35)33-38)32-29(37)22-8-10-24(11-9-22)39-19-23-17-21(3)31-26-7-5-4-6-25(23)26/h4-11,17,20,38H,12-16,18-19H2,1-3H3,(H,32,37)(H,33,35)
InChIKeyNHMWZOLCOOIQJX-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.15
Rot. Bonds9

About N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379435) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID18379435
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)CC(C)C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C30H36N4O5/c1-20(2)16-28(36)34-14-12-30(13-15-34,18-27(35)33-38)32-29(37)22-8-10-24(11-9-22)39-19-23-17-21(3)31-26-7-5-4-6-25(23)26/h4-11,17,20,38H,12-16,18-19H2,1-3H3,(H,32,37)(H,33,35)
InChIKeyNHMWZOLCOOIQJX-UHFFFAOYSA-N
XLogP4.15
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379435) is N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)CC(C)C)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is NHMWZOLCOOIQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-20(2)16-28(36)34-14-12-30(13-15-34,18-27(35)33-38)32-29(37)22-8-10-24(11-9-22)39-19-23-17-21(3)31-26-7-5-4-6-25(23)26/h4-11,17,20,38H,12-16,18-19H2,1-3H3,(H,32,37)(H,33,35).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 532.64 g/mol, XLogP of 4.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).